基本描述

别名	3-(3-氧代-1-苯基丁基)-4-羟基-2H-1-苯并吡喃-2-酮 \| 4-羟基-3-(3-氧代-1-苯基丁基)-2H-1-苯并吡喃-2-酮 \| 杀鼠灵
英文别名	Maveran \| Rat and mice bait \| Warfarat \| Warfarin plus \| BRN 1293536 \| A820 \| Coumafene \| Twin light rat away \| Zoocoumarin [Netherlands and USSR] \| Dicusat E \| Warfarine \| warfarin \| Place-pax \| Warfarina [INN-Spanish] \| Warfarine [INN-French] \| Warfarin
规格或纯度	Moligand™, ≥98%
英文名称	Warfarin
生化机理	维生素K环氧化物还原酶抑制剂。香豆素的合成衍生物。用双氯芬酸（IC 50 = 21μM）探测时的CYP 2C9抑制剂。抗凝作用。在体内和体外具有活性。
来源	Synthetic
储存温度	2-8°C储存
运输条件	冰袋运输
作用类型	抑制剂
作用机制	维生素 K 环氧化物还原酶复合物亚基 1 的抑制剂
备注	如果有可能，您尽量在使用的当天配置溶液，并在当天使用完它。但是，如果您需要预先配制储备溶液，我们建议您将溶液等份保存在-20°C的密封小瓶中。通常，它们最多可以使用一个月。在使用前和打开样品瓶之前，我们建议您让您的产品在室温下平衡至少1小时。需要更多关于溶解度，用法和处理的建议吗？请访问我们的常见问题（FAQ）页面以获取更多详细信息。
产品介绍	储存在室温下。该产品最多可存储12个月。 Store at Room Temperature. The product can be stored for up to 12 months.

AI解读

关联靶点（人）

VKORC1 Tclin 维生素 K 环氧化物还原酶复合物亚基 1(Vitamin K epoxide reductase complex subunit 1) (2 活性数据)

点击查看靶蛋白信息： VKORC1

活性类型	活性值-log(M)	作用机制	期刊	参考文献(PubMed IDs)

名称和识别符

PubChem SID	488201689
分子类型	小分子
IUPAC Name	4-hydroxy-3-(3-oxo-1-phenylbutyl)chromen-2-one
INCHI	InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3
InChi Key	PJVWKTKQMONHTI-UHFFFAOYSA-N
Canonical SMILES	CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O
Isomeric SMILES	CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O
PubChem CID	54678486
UN Number	3027
Packing Group	I
分子量	308.33

化学和物理性质

溶解性	Soluble in ethanol and DMSO
熔点	162-164 °C
分子量	308.300 g/mol
XLogP3	2.700
氢键供体数Hydrogen Bond Donor Count	1
氢键受体数Hydrogen Bond Acceptor Count	4
可旋转键计数Rotatable Bond Count	4
精确质量Exact Mass	308.105 Da
单同位素质量Monoisotopic Mass	308.105 Da
拓扑极表面积Topological Polar Surface Area	63.600 Å²
重原子数Heavy Atom Count	23
形式电荷Formal Charge	0
复杂度Complexity	501.000
同位素原子数Isotope Atom Count	0
定义的原子立体中心计数Defined Atom Stereocenter Count	0
未定义的原子立体中心计数Undefined Atom Stereocenter Count	1
定义的键立体中心计数Defined Bond Stereocenter Count	0
未定义的键立体中心计数Undefined Bond Stereocenter Count	0
所有立体化学键的总数The total count of all stereochemical bonds	0
共价键合单元计数Covalently-Bonded Unit Count	1

安全和危险性（GHS）

一般危化品	一般危化品
象形图	GHS06, GHS08, GHS09
信号词	Danger
危险声明	H319: 引起严重眼睛刺激 H411: 对水生生物有毒并具有长期持续影响 H412: 对水生生物有害并具有长期持续影响 H312: 皮肤接触有害 H300: 吞咽致命 H310: 与皮肤接触致命 H330: 吸入致命 H372: 通过长时间或反复暴露对器官造成损害 H360: 可能损害生育力或未出生的孩子
预防措施声明	P305+P351+P338: 如进入眼睛：用水小心冲洗几分钟。如戴隐形眼镜并可方便地取出，取出隐形眼镜。继续冲洗。 P273: 避免释放到环境中。 P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。 P302+P352: 如皮肤沾染：用水充分清洗。 P321: 特殊处理（请参阅此标签上的...）。 P405: 密闭存放 P501: 将内容物/容器处理到。。。 P264: 处理后要彻底洗手。 P260: 不要吸入灰尘/烟雾/气体/雾/蒸汽/喷雾。 P284: 如果通风不良，请佩戴呼吸防护装置。 P271: 仅在室外或通风良好的地方使用。 P270: 使用本产品时，请勿进食、饮水或吸烟。 P304+P340: 如误吸入：将人转移到空气新鲜处，保持呼吸舒适体位。 P403+P233: 存放在通风良好的地方。保持容器密闭。 P362+P364: 脱掉沾污的衣服，清洗后方可重新使用。 P391: 收集溢出物 P330: 漱口 P262: 不要进入眼睛、皮肤或衣服。 P320: 迫切需要特殊治疗（请参阅此标签上的...）。 P361+P364: 立即脱掉所有沾染的衣服，清洗后方可重新使用。 P203: 使用前，获取、阅读并遵守所有安全说明。 P264+P265: 处理后彻底洗手[和…]。不要触摸眼睛。 P301+P316: 如果吞咽：立即寻求紧急医疗救助。 P318: 如果暴露或担心，请就医。 P317: 寻求紧急医疗救助。 P337+P317: 如果眼睛刺激持续：寻求医疗帮助。 P316: 立即寻求紧急医疗救助。 P319: 如果你感到不适，请寻求医疗帮助。
Class	6.1

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批号(Lot Number)	证书类型	日期	货号
D2515023	分析证书	25-04-25	W274626
L2301350	分析证书	23-12-04	W274626
L2301349	分析证书	23-12-04	W274626
L2301348	分析证书	23-12-04	W274626
G2431127	分析证书	23-12-04	W274626
J2313103	分析证书	23-07-03	W274626
F23271056	分析证书	23-07-03	W274626
F23271057	分析证书	23-07-03	W274626
F23271055	分析证书	23-06-05	W274626
D2307064	分析证书	23-04-18	W274626
D2307057	分析证书	23-04-18	W274626
D2307065	分析证书	23-04-18	W274626
D2307079	分析证书	23-04-18	W274626
D2307108	分析证书	23-04-13	W274626
D2307059	分析证书	23-04-12	W274626
J2213147	分析证书	22-10-14	W274626
C2224007	分析证书	22-03-01	W274626
B2209470	分析证书	22-03-01	W274626
B2209469	分析证书	22-03-01	W274626

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此产品的引用文献

如何在您的发表作品中引用阿拉丁的产品和网站?

1. Yiwen Cui, Yingying Sun, Hang Yu, Yahui Guo, Weirong Yao, Yunfei Xie, Fangwei Yang. (2023) Exploring the binding mechanism and adverse toxic effects of degradation metabolites of pyrethroid insecticides to human serum albumin: Multi-spectroscopy, calorimetric and molecular docking approaches. FOOD AND CHEMICAL TOXICOLOGY, 179 (113951). [PMID:37479174] [10.1016/j.fct.2023.113951]
2. Jiali Gu, Yanxuan Ma, Zimu Li, Hongrui Liu, Qionghua Zhang. (2023) Probing the interaction of tert-butylhydroquinone and its β-cyclodextrin inclusion complex with bovine serum albumin. JOURNAL OF MOLECULAR LIQUIDS, 384 (122249). [10.1016/j.molliq.2023.122249]
3. Pei Wang, Bohui Zhou, Ziye Liu, Yining Zhao, Robert Chunhua Zhao, Jinhui Peng, Juan Zhang. (2023) In situ analysis of immune checkpoint molecule on bladder cancer cell based on cellular interface supported cascade signal amplification mediated by CRISPR/Cas13a system. SENSORS AND ACTUATORS B-CHEMICAL, 388 (133784). [10.1016/j.snb.2023.133784]
4. Wenxin Li, Shuji Chen, Xu Hong, Mengke Fang, Wansong Zong, Xiaokang Li, Jing Wang. (2023) The molecular interaction of three haloacetic acids with bovine serum albumin and the underlying mechanisms. JOURNAL OF MOLECULAR LIQUIDS, 370 (120976). [10.1016/j.molliq.2022.120976]
5. Jieqing Feng, Qisheng Zhong, Ting Zhou. (2022) Online Pressure Change Focusing-Supercritical Fluid Selective Extraction Chromatography for Analyzing Chiral Drugs in Microliter-Scale Plasma Samples. ANALYTICAL CHEMISTRY, 94 (46): (16222–16230). [PMID:36356211] [10.1021/acs.analchem.2c03892]
6. Zhen Wang, Zhe Wang, Xiaoyu Wang, Xin Lv, Hang Yin, Lili Jiang, Yangliu Xia, Wei Li, Wenli Li, Yong Liu. (2022) Potential food-drug interaction risk of thymoquinone with warfarin. CHEMICO-BIOLOGICAL INTERACTIONS, 365 (110070). [PMID:35921950] [10.1016/j.cbi.2022.110070]
7. Meng-Ting Song, Wen-Zhu Wang, Yao Lu, Rui-Min Han, Leif H. Skibsted, Jian-Ping Zhang. (2022) Double-Site Binding and Anti-/Pro-oxidation of Luteolin on Bovine Serum Albumin Mediated by Copper(II) Coordination. ACS Omega, 7 (23): (19521–19534). [PMID:35721975] [10.1021/acsomega.2c01226]
8. Yang Shirui, Zhang Wenxiang, Liu Zheyi, Zhai Ziyang, Hou Xudong, Wang Ping, Ge Guangbo, Wang Fangjun. (2021) Lysine reactivity profiling reveals molecular insights into human serum albumin–small-molecule drug interactions. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 413 (30): (7431-7440). [PMID:34676431] [10.1007/s00216-021-03700-1]
9. Jiali Gu, Siyao Zheng, Xiyao Huang, Qian He, Ting Sun. (2021) Exploring the mode of binding between butylated hydroxyanisole with bovine serum albumin: Multispectroscopic and molecular docking study. FOOD CHEMISTRY, 357 (129771). [PMID:33894572] [10.1016/j.foodchem.2021.129771]
10. Chunlei Zhu, Fengru Liu, Yunlong Wei, Fan Zhang, Ting Pan, Yingwang Ye, Yizhong Shen. (2021) Evaluating the potential risk by probing the site-selective binding of rutin-Pr(III) complex to human serum albumin. FOOD AND CHEMICAL TOXICOLOGY, 148 (111927). [PMID:33340613] [10.1016/j.fct.2020.111927]
11. Hengjun Rao, Wei Qi, Rongxin Su, Zhimin He, Xin Peng. (2020) Mechanistic and conformational studies on the interaction of human serum albumin with rhodamine B by NMR, spectroscopic and molecular modeling methods. JOURNAL OF MOLECULAR LIQUIDS, 316 (113889). [10.1016/j.molliq.2020.113889]
12. Hongjin Tang, Lin Huang, Dongsheng Zhao, Chunyong Sun, Ping Song. (2020) Interaction mechanism of flavonoids on bovine serum albumin: Insights from molecular property-binding affinity relationship. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 239 (118519). [PMID:32480277] [10.1016/j.saa.2020.118519]
13. Yuhong Zhou, Qian Liang, Zhilun Zhang, Zhaodi Wang, Mingxian Huang. (2020) Chiral separations with crosslinked cellulose derivatives attached onto hybrid silica monolith particles via the thiol–ene click reaction. Analytical Methods, 12 (21): (2727-2734). [PMID:32930304] [10.1039/D0AY00772B]
14. Shufen Wu, Xiaochan Wang, Yuxin Bao, Chuanying Zhang, Huanhuan Liu, Zhenjing Li, Mianhua Chen, Changlu Wang, Qingbin Guo, Xin Peng. (2020) Molecular insight on the binding of monascin to bovine serum albumin (BSA) and its effect on antioxidant characteristics of monascin. FOOD CHEMISTRY, 315 (126228). [PMID:31991257] [10.1016/j.foodchem.2020.126228]
15. Zhang Hua-xin, Liu E., Zhou Dan, Xia Qing-hua. (2018) Structural and Thermodynamic Investigation into the Protein-Binding Properties of a Natural Product Crytotanshinone. JOURNAL OF SOLUTION CHEMISTRY, 47 (12): (2068-2081). [10.1007/s10953-018-0834-9]
16. Xin Peng, Xiangchao Wang, Wei Qi, Rongxin Su, Zhimin He. (2016) Affinity of rosmarinic acid to human serum albumin and its effect on protein conformation stability. FOOD CHEMISTRY, 192 (178). [PMID:26304336] [10.1016/j.foodchem.2015.06.109]
17. Xin Peng, Xiangchao Wang, Wei Qi, Renliang Huang, Rongxin Su, Zhimin He. (2015) Deciphering the binding patterns and conformation changes upon the bovine serum albumin–rosmarinic acid complex. Food & Function, 6 (8): (2712-2726). [PMID:26146359] [10.1039/C5FO00597C]
18. Xin Peng, Wei Qi, Renliang Huang, Rongxin Su, Zhimin He. (2015) Elucidating the Influence of Gold Nanoparticles on the Binding of Salvianolic Acid B and Rosmarinic Acid to Bovine Serum Albumin. PLoS One, 10 (4): (e0118274). [PMID:25861047] [10.1371/journal.pone.0118274]
19. Peng Xin, Sun Yinhe, Qi Wei, Su Rongxin, He Zhimin. (2014) Study of the Interaction Between Coenzyme Q10 and Human Serum Albumin: Spectroscopic Approach. JOURNAL OF SOLUTION CHEMISTRY, 43 (3): (585-607). [10.1007/s10953-014-0146-7]
20. Jiao Guan,Xin Yan,Yajing Zhao,Yinhe Sun,Xin Peng. (2018-05-20) Binding studies of triclocarban with bovine serum albumin: Insights from multi-spectroscopy and molecular modeling methods.. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 202 (1-12). [PMID:29777928]

参考文献

1. Takahashi H, Echizen H. (2001) Pharmacogenetics of warfarin elimination and its clinical implications.. Clin Pharmacokinet, 40 (8): (587-603). [PMID:11523725] [10.1021/op500134e]
2. Yiwen Cui, Yingying Sun, Hang Yu, Yahui Guo, Weirong Yao, Yunfei Xie, Fangwei Yang. (2023) Exploring the binding mechanism and adverse toxic effects of degradation metabolites of pyrethroid insecticides to human serum albumin: Multi-spectroscopy, calorimetric and molecular docking approaches. FOOD AND CHEMICAL TOXICOLOGY, 179 (113951). [PMID:37479174] [10.1016/j.fct.2023.113951]
3. Jiali Gu, Yanxuan Ma, Zimu Li, Hongrui Liu, Qionghua Zhang. (2023) Probing the interaction of tert-butylhydroquinone and its β-cyclodextrin inclusion complex with bovine serum albumin. JOURNAL OF MOLECULAR LIQUIDS, 384 (122249). [10.1016/j.molliq.2023.122249]
4. Pei Wang, Bohui Zhou, Ziye Liu, Yining Zhao, Robert Chunhua Zhao, Jinhui Peng, Juan Zhang. (2023) In situ analysis of immune checkpoint molecule on bladder cancer cell based on cellular interface supported cascade signal amplification mediated by CRISPR/Cas13a system. SENSORS AND ACTUATORS B-CHEMICAL, 388 (133784). [10.1016/j.snb.2023.133784]
5. Wenxin Li, Shuji Chen, Xu Hong, Mengke Fang, Wansong Zong, Xiaokang Li, Jing Wang. (2023) The molecular interaction of three haloacetic acids with bovine serum albumin and the underlying mechanisms. JOURNAL OF MOLECULAR LIQUIDS, 370 (120976). [10.1016/j.molliq.2022.120976]
6. Jieqing Feng, Qisheng Zhong, Ting Zhou. (2022) Online Pressure Change Focusing-Supercritical Fluid Selective Extraction Chromatography for Analyzing Chiral Drugs in Microliter-Scale Plasma Samples. ANALYTICAL CHEMISTRY, 94 (46): (16222–16230). [PMID:36356211] [10.1021/acs.analchem.2c03892]
7. Zhen Wang, Zhe Wang, Xiaoyu Wang, Xin Lv, Hang Yin, Lili Jiang, Yangliu Xia, Wei Li, Wenli Li, Yong Liu. (2022) Potential food-drug interaction risk of thymoquinone with warfarin. CHEMICO-BIOLOGICAL INTERACTIONS, 365 (110070). [PMID:35921950] [10.1016/j.cbi.2022.110070]
8. Meng-Ting Song, Wen-Zhu Wang, Yao Lu, Rui-Min Han, Leif H. Skibsted, Jian-Ping Zhang. (2022) Double-Site Binding and Anti-/Pro-oxidation of Luteolin on Bovine Serum Albumin Mediated by Copper(II) Coordination. ACS Omega, 7 (23): (19521–19534). [PMID:35721975] [10.1021/acsomega.2c01226]
9. Yang Shirui, Zhang Wenxiang, Liu Zheyi, Zhai Ziyang, Hou Xudong, Wang Ping, Ge Guangbo, Wang Fangjun. (2021) Lysine reactivity profiling reveals molecular insights into human serum albumin–small-molecule drug interactions. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 413 (30): (7431-7440). [PMID:34676431] [10.1007/s00216-021-03700-1]
10. Jiali Gu, Siyao Zheng, Xiyao Huang, Qian He, Ting Sun. (2021) Exploring the mode of binding between butylated hydroxyanisole with bovine serum albumin: Multispectroscopic and molecular docking study. FOOD CHEMISTRY, 357 (129771). [PMID:33894572] [10.1016/j.foodchem.2021.129771]
11. Chunlei Zhu, Fengru Liu, Yunlong Wei, Fan Zhang, Ting Pan, Yingwang Ye, Yizhong Shen. (2021) Evaluating the potential risk by probing the site-selective binding of rutin-Pr(III) complex to human serum albumin. FOOD AND CHEMICAL TOXICOLOGY, 148 (111927). [PMID:33340613] [10.1016/j.fct.2020.111927]
12. Hengjun Rao, Wei Qi, Rongxin Su, Zhimin He, Xin Peng. (2020) Mechanistic and conformational studies on the interaction of human serum albumin with rhodamine B by NMR, spectroscopic and molecular modeling methods. JOURNAL OF MOLECULAR LIQUIDS, 316 (113889). [10.1016/j.molliq.2020.113889]
13. Hongjin Tang, Lin Huang, Dongsheng Zhao, Chunyong Sun, Ping Song. (2020) Interaction mechanism of flavonoids on bovine serum albumin: Insights from molecular property-binding affinity relationship. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 239 (118519). [PMID:32480277] [10.1016/j.saa.2020.118519]
14. Yuhong Zhou, Qian Liang, Zhilun Zhang, Zhaodi Wang, Mingxian Huang. (2020) Chiral separations with crosslinked cellulose derivatives attached onto hybrid silica monolith particles via the thiol–ene click reaction. Analytical Methods, 12 (21): (2727-2734). [PMID:32930304] [10.1039/D0AY00772B]
15. Shufen Wu, Xiaochan Wang, Yuxin Bao, Chuanying Zhang, Huanhuan Liu, Zhenjing Li, Mianhua Chen, Changlu Wang, Qingbin Guo, Xin Peng. (2020) Molecular insight on the binding of monascin to bovine serum albumin (BSA) and its effect on antioxidant characteristics of monascin. FOOD CHEMISTRY, 315 (126228). [PMID:31991257] [10.1016/j.foodchem.2020.126228]
16. Zhang Hua-xin, Liu E., Zhou Dan, Xia Qing-hua. (2018) Structural and Thermodynamic Investigation into the Protein-Binding Properties of a Natural Product Crytotanshinone. JOURNAL OF SOLUTION CHEMISTRY, 47 (12): (2068-2081). [10.1007/s10953-018-0834-9]
17. Xin Peng, Xiangchao Wang, Wei Qi, Rongxin Su, Zhimin He. (2016) Affinity of rosmarinic acid to human serum albumin and its effect on protein conformation stability. FOOD CHEMISTRY, 192 (178). [PMID:26304336] [10.1016/j.foodchem.2015.06.109]
18. Xin Peng, Xiangchao Wang, Wei Qi, Renliang Huang, Rongxin Su, Zhimin He. (2015) Deciphering the binding patterns and conformation changes upon the bovine serum albumin–rosmarinic acid complex. Food & Function, 6 (8): (2712-2726). [PMID:26146359] [10.1039/C5FO00597C]
19. Xin Peng, Wei Qi, Renliang Huang, Rongxin Su, Zhimin He. (2015) Elucidating the Influence of Gold Nanoparticles on the Binding of Salvianolic Acid B and Rosmarinic Acid to Bovine Serum Albumin. PLoS One, 10 (4): (e0118274). [PMID:25861047] [10.1371/journal.pone.0118274]
20. Peng Xin, Sun Yinhe, Qi Wei, Su Rongxin, He Zhimin. (2014) Study of the Interaction Between Coenzyme Q10 and Human Serum Albumin: Spectroscopic Approach. JOURNAL OF SOLUTION CHEMISTRY, 43 (3): (585-607). [10.1007/s10953-014-0146-7]
21. Jiao Guan,Xin Yan,Yajing Zhao,Yinhe Sun,Xin Peng. (2018-05-20) Binding studies of triclocarban with bovine serum albumin: Insights from multi-spectroscopy and molecular modeling methods.. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 202 (1-12). [PMID:29777928]

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货号 (SKU)	包装规格	是否现货
W274626-250mg	250mg	现货
W274626-1g	1g	现货
W274626-5g	5g	现货

华法林, 维生素 K 环氧化物还原酶复合物亚基 1 的抑制剂

库存信息

库存信息

库存信息

基本描述

AI解读

关联靶点（人）

名称和识别符

化学和物理性质

安全和危险性（GHS）

质检证书（CoA,COO,BSE/TSE 和分析图谱)

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此产品的引用文献

参考文献

溶液计算器

摩尔浓度计算器

稀释计算器

复溶计算器