计算溶液所需的质量、体积或浓度。
活性类型 | 活性值-log(M) | 作用机制 | 期刊 | 参考文献(PubMed IDs) |
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货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
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R426198-1ml |
1ml |
现货 ![]() |
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英文别名 | cid_11071264 | Keoxifene; LY 139481; | Lopac0_001051 | CAS-84449-90-1 | GTPL2820 | NCGC00015889-04 | NCGC00015889-10 | KBio3_002840 | NCGC00015889-08 | AS-35086 | BRD-K63828191-003-11-5 | DB00481 | Prestwick3_000862 | Raxeto | YX9162EO3I | [6-hydroxy-2-(4 |
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规格或纯度 | Moligand™, 10mM in DMSO |
英文名称 | Raloxifene |
生化机理 | Raloxifene (Keoxifene) is a benzothiophene-derived selective estrogen receptor modulator (SERM). Raloxifene has estrogen-agonistic effects on bone and lipids and estrogen-antagonistic effects on the breast and uterus. Raloxifene is used for breast cancer and osteoporosis research。 |
储存温度 | -80℃储存 |
运输条件 | 超低温冰袋运输 |
作用类型 | 激动剂 |
作用机制 | 雌激素受体-α 的激动剂;雌激素受体-α 的拮抗剂;雌激素受体-β 的拮抗剂;GPER 的激动剂 |
产品介绍 |
Raloxifene (Keoxifene) 是一种苯并噻吩类选择性雌激素受体 (estrogen receptor) 调节剂 (SERM),对骨、血脂有雌激素激动作用,对乳腺和子宫有雌激素拮抗作用。Raloxifene 用于乳腺癌和骨质疏松症研究。 |
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作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
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分子类型 | 小分子 |
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IUPAC Name | [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone |
INCHI | InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2 |
InChi Key | GZUITABIAKMVPG-UHFFFAOYSA-N |
Canonical SMILES | C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O |
Isomeric SMILES | C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O |
PubChem CID | 5035 |
分子量 | 473.58 |
熔点 | 140-142° C |
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分子量 | 473.600 g/mol |
XLogP3 | 6.100 |
氢键供体数Hydrogen Bond Donor Count | 2 |
氢键受体数Hydrogen Bond Acceptor Count | 6 |
可旋转键计数Rotatable Bond Count | 7 |
精确质量Exact Mass | 473.166 Da |
单同位素质量Monoisotopic Mass | 473.166 Da |
拓扑极表面积Topological Polar Surface Area | 98.200 Ų |
重原子数Heavy Atom Count | 34 |
形式电荷Formal Charge | 0 |
复杂度Complexity | 655.000 |
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 | 0 |
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 |
象形图 | GHS06, GHS08, GHS09, GHS07 |
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信号词 | Danger |
危险声明 |
H315: 引起皮肤刺激 H319: 引起严重眼睛刺激 H335: 可能引起呼吸道刺激 H311: 皮肤接触有毒 H411: 对水生生物有毒并具有长期持续影响 H302: 吞食有害 H332: 吸入有害 H360: 可能损害生育力或未出生的孩子 |
预防措施声明 |
P261: 避免吸入灰尘/烟雾/气体/雾/蒸汽/喷雾 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。 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 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+P317: 如果被吞咽:请寻求医疗帮助。 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。 P332+P317: 如果出现皮肤刺激:请寻求医疗帮助。 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。 |
Concentration(Compounding value) | 9.0-11.0(mmol/L) |
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Record the entire process by video | Conform |
1. Jinhua Li, Namrta Choudhry, Gang Lv, Naganna Nimishetti, Mallu Chenna Reddy, Hong Liu, Thaddeus D. Allen, Jing Zhang, Dun Yang. (2023) In-vitro metabolism of LXY18, an orally available, potent blocker of AURKB relocation in mitosis. JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, 232 (115415). [PMID:37120975] [10.1016/j.jpba.2023.115415] |
2. Zongjun Liu, Peng Wan, Zhao Liu, Mingxin Yang, ShanShan Li, You Wang, Yang Gan. (2020) Photothermal Generation of Oxygen-Irrelevant Free Radicals with Simultaneous Suppression of Glutathione Synthesis for an Enhanced Photonic Thermodynamic Cancer Therapy. ACS Biomaterials Science & Engineering, 6 (11): (6186–6194). [PMID:33449657] [10.1021/acsbiomaterials.0c00889] |
3. Ruonan He, Junyi Yang, Shengjie Yuan, Ling Chen, Hongqiang Ren, Bing Wu. (2025) A genetically encoded fluorescent whole-cell biosensor for real-time detecting estrogenic activities in water samples. JOURNAL OF HAZARDOUS MATERIALS, 485 (136903). [PMID:39694001] [10.1016/j.jhazmat.2024.136903] |
4. Zhengsheng Mao, Youjia Yu, Gen Ba, Hongmei Zhao, Qifang Shi, Yue Cao, Weiran Xie, Jinsong Zhang, Hao Sun, Feng Chen. (2024) Non-cytochrome P450 enzyme aldehyde oxidase is involved in the oxidative metabolic pathway of diquat and its detoxification effect. PESTICIDE BIOCHEMISTRY AND PHYSIOLOGY, 199 (105805). [PMID:38458670] [10.1016/j.pestbp.2024.105805] |
1. Jinhua Li, Namrta Choudhry, Gang Lv, Naganna Nimishetti, Mallu Chenna Reddy, Hong Liu, Thaddeus D. Allen, Jing Zhang, Dun Yang. (2023) In-vitro metabolism of LXY18, an orally available, potent blocker of AURKB relocation in mitosis. JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, 232 (115415). [PMID:37120975] [10.1016/j.jpba.2023.115415] |
2. Zongjun Liu, Peng Wan, Zhao Liu, Mingxin Yang, ShanShan Li, You Wang, Yang Gan. (2020) Photothermal Generation of Oxygen-Irrelevant Free Radicals with Simultaneous Suppression of Glutathione Synthesis for an Enhanced Photonic Thermodynamic Cancer Therapy. ACS Biomaterials Science & Engineering, 6 (11): (6186–6194). [PMID:33449657] [10.1021/acsbiomaterials.0c00889] |
3. Ruonan He, Junyi Yang, Shengjie Yuan, Ling Chen, Hongqiang Ren, Bing Wu. (2025) A genetically encoded fluorescent whole-cell biosensor for real-time detecting estrogenic activities in water samples. JOURNAL OF HAZARDOUS MATERIALS, 485 (136903). [PMID:39694001] [10.1016/j.jhazmat.2024.136903] |
4. Zhengsheng Mao, Youjia Yu, Gen Ba, Hongmei Zhao, Qifang Shi, Yue Cao, Weiran Xie, Jinsong Zhang, Hao Sun, Feng Chen. (2024) Non-cytochrome P450 enzyme aldehyde oxidase is involved in the oxidative metabolic pathway of diquat and its detoxification effect. PESTICIDE BIOCHEMISTRY AND PHYSIOLOGY, 199 (105805). [PMID:38458670] [10.1016/j.pestbp.2024.105805] |