计算溶液所需的质量、体积或浓度。
| 活性类型 | Relation | Activity value | Units | Action Type | 期刊 | PubMed Id | doi | Assay Aladdin ID |
|---|
有货
为什么选择此级别
，适用于对基线干扰要求严格的色谱和分析工作流程。
储存与运输
-80℃储存。特低温运输 。请查阅批次 COA 获取详细规格。
质量文档
SDS、COA、产品数据表及规格说明书均可下载。可通过批号查询获取批次 COA。
文献证明
在色谱分析、有机合成和交叉偶联反应领域已被 18 篇同行评审文献引用。
概述
decarboxylation mechanisms in biological systems,and to investigate radical reactions of thiamin pyrophosphate in 2-oxoacid oxidoreductases.
decarboxylation mechanisms in biological systems,and to investigate radical reactions of thiamin pyrophosphate in 2-oxoacid oxidoreductases.
规格
别名
羧化辅酶 | 氯化硫胺素焦磷酸酯 | 硫胺素焦磷酸 | 辅羧酶 | 维生素 B1 | 硫胺素二磷酸盐 | 3-[(4-氨基-2-甲基-5-嘧啶基)甲基]-5-[2-[[羟基-(磷酸基氧代)磷酰]氧]乙基]-4-甲基噻唑氯化物
英文别名
Thiaminediphosphate | Bivitasi | Coenzymate (TN) | Vitamin B1 Pyrophosphoric Acid Ester Chloride | Cocarboxylase hydrochloride | thiamine(1+) diphosphate chloride | B-Carbossilasi | AI3-63012 | Cocarboxylase [INN:DCF:JAN] | THIAMINE DIPHOSPHORIC ACID ESTE
规格或纯度
10mM in Water
英文名称
Thiamine pyrophosphate
生化机理
焦磷酸硫胺素是转酮醇酶的辅酶，可催化核酮糖-5-磷酸的裂解，从而形成 D-甘油醛-3-磷酸盐。该反应需要加入受体醛，如核糖-5-磷酸、甘油醛或乙醛。该酶还能在′受体醛′存在的情况下对羟基丙酮酸进行脱羧反应。
储存条件
-80℃储存
运输条件
特低温运输
名称和识别符
PubChem SID
EC号
205-836-1
分子类型
小分子
IUPAC Name
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate;chloride
INCHI
1S/C12H18N4O7P2S.ClH/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21);1H
InChi Key
YXVCLPJQTZXJLH-UHFFFAOYSA-N
Smiles
CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)O.[Cl-]
Isomeric SMILES
CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)O.[Cl-]
关联CAS
分子量
460.77
Beilstein号
3875902
Reaxy-Rn
3875902
技术文档
高级数据
系统学分类
分类树（Taxonomy Tree）
| 界（kingdom) | 有机化合物 |
|---|---|
| 超类（Superclass) | 有机杂环化合物 |
| 类（Class) | 二嗪类 |
| 亚类（Subclass） | 嘧啶和嘧啶衍生物 |
| 中间层级节点（Intermediate Tree Nodes） | 硫胺素 |
| 直接上位类(Direct Parent) | 磷酸硫胺素 |
| 其他上位类（Alternative Parents） | 有机焦磷酸盐 单烷基磷酸酯 氨基嘧啶及其衍生物 4,5-二取代噻唑 咪唑内酰胺类 杂芳族化合物 氮杂环化合物 伯胺 有机光子化合物 有机氧化合物 有机两性离子 有机氧化物 有机氯化物盐 碳氢化合物衍生物 |
| 分子骨架（Molecular Framework) | 芳香族杂单环化合物 |
| 取代基（Substituents） | 4,5-二取代-1,3-噻唑 - 烷基磷酸酯 - 氨基酸 - 氨基吡啶 - 芳香族杂单环化合物 - 氮杂环 - 吡唑 - 杂芳香族化合物 - 烃衍生物 - 咪唑内酰胺 - 单烷基磷酸酯 - 有机氯酸盐 - 有机硝基化合物 - 有机氧化物 - 有机氧化合物 - 有机磷酸酯 - 有机焦磷酸盐 - 有机盐 - 有机双性离子 - 有机氮化合物 - 有机氧化合物 - 有机氮化合物 - 磷酸酯 - 初级胺 - 硫胺素-磷酸酯 - 噻唑 |
| 描述（Description） | 该化合物属于有机化合物中的硫胺磷酸酯类。此类化合物为硫胺衍生物，其乙醇基团的羟基被磷酸基团取代。 |
| 外部描述符（External Descriptors） | organic chloride salt |
三维结构
交互式化学结构模型
关联靶点（人）
ACHE
Tclin
Acetylcholinesterase
(18204 活性数据)
关联靶点（其它种属）
dxs
1-deoxy-D-xylulose-5-phosphate synthase (31 活性数据)
rep
Replicase polyprotein 1ab (378 活性数据)
SARS-CoV-2 (38078 活性数据)
作用机制
| 作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
|---|
化学和物理性质
敏感性
对光和热敏感
分子量
460.770 g/mol
XLogP3
氢键供体数Hydrogen Bond Donor Count
4
氢键受体数Hydrogen Bond Acceptor Count
12
可旋转键计数Rotatable Bond Count
8
精确质量Exact Mass
460.014 Da
单同位素质量Monoisotopic Mass
460.014 Da
拓扑极表面积Topological Polar Surface Area
197.000 Ų
重原子数Heavy Atom Count
27
形式电荷Formal Charge
0
复杂度Complexity
568.000
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
2
安全和危险性（GHS）
象形图
信号词
警告
危险声明
H303: 要是吞了可能有害
H317: 可能引起皮肤过敏反应
预防措施声明
P261: 避免吸入灰尘/烟雾/气体/雾/蒸汽/喷雾
P272: 被污染的工作服不允许离开工作场所
P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。
P312: 打电话给毒物中心或医生。。。如果你觉得不舒服
P302+P352: 如皮肤沾染：用水充分清洗。
P333+P313: 如发生皮肤刺激或皮疹：求医/就诊。
P362+P364: 脱掉沾污的衣服，清洗后方可重新使用。
P501: 将内容物/容器处理到。。。
WGK Germany
3
RTECS
XI7552000
个人防护装备
Eyeshields,Gloves,type N95 (US),type P1 (EN143) respirator filter
质检证书（CoA,COO,BSE/TSE 和分析图谱)
C of A & Other Certificates(BSE/TSE, COO):
输入批号以搜索分析图谱:
技术文档和文章
此产品的引用文献
引用文献
| 1. Su Xiaowei, Tan Wei, Liu Xiaohui, Ren Yuanlin, Sun Ying. (2023) Fabricating of flame retardant and antibacterial lyocell fabric based on thiamine pyrophosphate modification. CELLULOSE, 30 (7): (4437-4454). [10.1007/s10570-023-05148-1] |
| 2. Hongyan Zhang, Ji Li, Rong Yuan, Yufen Li, Yue Zhang, Xiaoyun Hu, Jiqiang Qu, Yu Chen, Zheran Wang, Mingyu Xia, Dongkai Wang. (2021) Augment the efficacy of eradicating metastatic lesions and tumor proliferation in breast cancer by honokiol-loaded pH-sensitive targeted lipid nanoparticles. COLLOIDS AND SURFACES B-BIOINTERFACES, [PMID:34333303] [10.1016/j.colsurfb.2021.112008] |
| 3. Yan Zhang, Peiyuan Yao, Yunfeng Cui, Qiaqing Wu, Dunming Zhu. (2018) One-Pot Enzymatic Synthesis of Cyclic Vicinal Diols from Aliphatic Dialdehydes via Intramolecular C−C Bond Formation and Carbonyl Reduction Using Pyruvate Decarboxylases and Alcohol Dehydrogenases. ADVANCED SYNTHESIS & CATALYSIS, 360 (21): (4191-4196). [10.1002/adsc.201800455] |
| 4. Jinbin Liu, Jing Jiang, Yajun Bai, Tai-ping Fan, Ye Zhao, Xiaohui Zheng, Yujie Cai. (2018) Mimicking a New 2-Phenylethanol Production Pathway from Proteus mirabilis JN458 in Escherichia coli. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, [PMID:29560727] [10.1021/acs.jafc.8b00627] |
| 5. Jia Xiaojing, Liu Ying, Han Yejun. (2017) A thermophilic cell-free cascade enzymatic reaction for acetoin synthesis from pyruvate. Scientific Reports, 7 (1): (1-10). [PMID:28659601] [10.1038/s41598-017-04684-8] |
| 6. Zhenzhen Zhang, Jing Zhang, Yang Wang, Yao Tong, Lei Zhang. (2017) Controlled synthesis of hollow porous carbon spheres for enrichment and simultaneous determination of nine bisphenols from real samples. TALANTA, [PMID:28340741] [10.1016/j.talanta.2017.02.037] |
| 7. Lingling Wang, Zhenzhen Zhang, Jing Zhang, Lei Zhang. (2016) Magnetic solid-phase extraction using nanoporous three dimensional graphene hybrid materials for high-capacity enrichment and simultaneous detection of nine bisphenol analogs from water sample. JOURNAL OF CHROMATOGRAPHY A, [PMID:27507729] [10.1016/j.chroma.2016.08.003] |
| 8. Hong Chen, Zhibo Huang, Qingyan Fan, Jinbao Guo. (2025) Bisphenol-Modified Ternary Liquid Crystal Polyarylates with Low Dielectric Loss at High Frequencies. MACROMOLECULAR CHEMISTRY AND PHYSICS, [10.1002/macp.202400462] |
| 9. Shen Yu, Xue-Yong Li, Wen-Jie Si, Ye-Wang Zhang. (2024) Enhanced Stabilization Effect of Cofactor Thiamine Pyrophosphate in the Covalent Immobilization of Formolase. Catalysts, 14 (12): (911). [10.3390/catal14120911] |
| 10. Qi Li, Yu-Cai He, Yu Deng. (2024) One-pot chemobiological cascade strategy for synthesizing furyl hydroxymethyl ketone from corncob. INDUSTRIAL CROPS AND PRODUCTS, [10.1016/j.indcrop.2024.119892] |
| 11. Yilin Xiao, Luyao Gao, Zhiyong Li. (2024) Unique high-temperature tolerance mechanisms of zoochlorellae Symbiochlorum hainanensis derived from scleractinian coral Porites lutea. mBio, 15 (3): [PMID:38385710] [10.1128/mbio.02780-23] |
| 12. Yong Ding, Xi Luo, Jiasheng Guo, Baiying Xing, Haoyu Lin, Haohan Ma, Yicun Wang, Meng Li, Chuan Ye, Sen Yan, Kangjie Lin, Jinxin Zhang, Yingying Zhuo, Qixing Nie, Donghui Yang, Zhipeng Zhang, Yanli Pang, Kai Wang, Ming Ma, Luhua Lai, Changtao Jiang. (2025) Identification of gut microbial bile acid metabolic enzymes via an AI-assisted pipeline. CELL, [PMID:40780197] [10.1016/j.cell.2025.07.017] |
| 13. Xinyu Wan, Peilin Wu, Xun He, Limei Zhang, Yunze Tai, Jiwen Fan, Yongchao Yao, Wenchuang Walter Hu, Binwu Ying, Xuping Sun, Yi Li. (2025) Nanosilver supported CoAl layered double hydroxide: A high-activity peroxidase-like nanozyme for colorimetric sensing of acetylcholinesterase. MICROCHEMICAL JOURNAL, [10.1016/j.microc.2025.114321] |
| 14. Yixue Chen, Huaiyu Song, Yan Qin, Yu Liu, Ying Xie, Zhenyu Chu, Wanqin Jin. (2026) Ammonia-etched hollow Prussian blue@Au nanoframes performing ultrasensitive pyruvate monitoring in fermentation. SENSORS AND ACTUATORS B-CHEMICAL, [10.1016/j.snb.2026.139538] |
| 15. Yu Zheng, Luhua Fu, Zhuoying Cao, Ting Zhang, Jiao Fei, Ming Jiang, Yuying Zhou, Zhi Shi, Yubin Su. (2026) Exogenous indole promotes florfenicol tolerance in Edwardsiella tarda. Virulence, [PMID:41560554] [10.1080/21505594.2026.2620188] |
| 16. Hong-Ru Zhao, Wen-Tao Shen, Bingmei Su, Lian Xu, Juan Lin. (2026) Multi-strategy engineering of transaminase enables a one-pot synergistic biocatalytic cascade to a key florfenicol chiral intermediate. GREEN CHEMISTRY, [10.1039/D5GC06908D] |
| 17. Wang Yujie, Liu Guangyu, Gao Feng, Zhang Hongwei, Chen Aobo, Pan Jiangyuan, Xiong Wei, Jiang Meng, Wang Nana, Cui Xiaofeng, Kong Tingting, Gao Chao, Xiong Yujie. (2026) Process-integrated engineered resting cells for biocatalytic production of rare natural sugars from sole methanol molecules. Nature Communications, [PMID:42471336] [10.1038/s41467-026-75664-8] |
| 18. Kaidi Zhan, Yaxiling Wang, Jing Lin, Fengxu Chen, Xia Fan, Peiwen Hu, Jiangwen Wen, Fangduanyang Gong, Nan Zhang. (2026) From Simplified Pretreatment to Sensitive Analysis: An Immobilization-Free Cathodic Photoelectrochemical Assay for Sulfonylurea Herbicide Residue and Its Accumulation. ACS Omega, [PMID:42495327] [10.1021/acsomega.6c03580] |
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