Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(4,6,6-trihydroxy-4,6-dioxido-3,5-dioxa-4,6-diphosphahex-1-yl)-, chloride (1:1) 焦磷酸硫胺素
CAS 154-87-0 MFCD00038740
化学结构图
SMILES: Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)O)c2C)c(N)n1.[Cl-]
化学属性
| Mol. Formula | C12H19N4O7P2S |
|---|---|
| Mol. Weight | 461 |
| TSCA | Yes |
| Density | 1.422 |
| Appearance | 白色结晶性粉末。干燥品稳定，水溶液不稳定。Mp238-240℃，在242nm波长处有最大吸收。本品易溶于水，水溶液pH值显酸性；难溶于乙醇、丙酮和乙醚。 |
| Melting Point | 240-244 |
| Stability | 对光和热敏感 |
别名和识别编码
| Chemical Name | Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(4,6,6-trihydroxy-4,6-dioxido-3,5-dioxa-4,6-diphosphahex-1-yl)-, chloride (1:1) |
|---|---|
| MDL Number | MFCD00038740 |
| CAS Number | 154-87-0 |
| Synonym | ANEURINEPYROPHOSPHORIC ACID Aneurinepyrophosphoric acid Aneurinepyrophosphoric acid Cocarboxylase B-Neurox Berolase Bioxylasi Cocarboxylase Coxylase Diphosphothiamin Farmaneurina Metabolase Pyrophosphate, Thiamine THIAMINE PYROPHOSPHATE THIAMINEPYROPHOSPHORIC ACID TPP (coenzy Thiamine Diphosphate Thiamine Pyrophosphate Thiamine diphosphate chloride; Vitamin B1; [2-[3-[(4-Amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethoxy-hydroxy-phosphoryl]oxyphosphonic acid chloride Thiamine pyrophosphate Thiamine pyrophosphate chloride Thiamine pyrophosphoric ester Thiaminepyrophosphate berolase co-bi 二磷酸硫胺 噻胺二磷酸酯 氯化脱羧辅酶 |
| PubChem Substance ID | 9068 |
| Beilstein Registry Number | 3875902 |
| EC Number | 205-836-1 |
| Merck Number | 14,9296 |
| Reaxys-RN | 3875902 |
| Chemical Name Translation | 焦磷酸硫胺素 |
| Wiswesser Line Notation | T6N CNJ B1 DZ E1- AT5K CSJ D2OPQO&OPQQO E1 &G |
| InChI | 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 |
| LabNetwork Molecule ID | LN01310097 |
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分类
- {Chemicalbook} 生物化学品: 生化试剂: 辅酶和维生素
- {SNA} Biochemicals and Reagents, Cofactors, Enzymes, Inhibitors, and Substrates, Other Cofactors
- {SNA} Analytical Standards, Analytical/Chromatography, Chromatography, Pharmaceutical Secondary Standards, Pharmaceutical Standards
- {SNA} Additional Standards, Analytical Standards, Chromatography, Pharmaceutical Secondary Standards, Pharmaceutical Standards, Pharmacopeia Metrological Institutes Standards, Secondary Standards, 分析/色谱
- {SNA} Cofactors, Other Cofactors, 生化试剂, 酶、抑制剂和底物
- {SNA} Analytical Standards, Chromatography, Pharmaceutical Secondary Standards, Pharmaceutical Standards, 分析/色谱
产品应用
- decarboxylation mechanisms in biological systems,and to investigate radical reactions of thiamin pyrophosphate in 2-oxoacid oxidoreductases.
相关文献及参考
- Merck: 14,9296
安全信息
GHS Symbol
- S22 Do not breathe dust 不要吸入粉尘；
- S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
- S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
- S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- P305+P351+P338
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 2500 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,471,1995
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 360 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,471,1995
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intramuscular SPECIES OBSERVED : Rodent - rat DOSE/DURATION : >500 mg/kg TOXIC EFFECTS : Peripheral Nerve and Sensation - sensory change involving peripheral nerve Behavioral - somnolence (general
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intramuscular SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : >1 gm/kg TOXIC EFFECTS : Peripheral Nerve and Sensation - sensory change involving peripheral nerve Behavioral - somnolence (general depressed activity) Behavioral - antipsychotic REFERENCE : KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 19,1025,1985
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 5 gm/kg TOXIC EFFECTS : Details of toxic effects not reported ot
其他信息
- MOL 文件:154-87-0.mol
- 图谱信息:焦磷酸硫胺素(154-87-0)红外图谱(IR1) 焦磷酸硫胺素(154-87-0)核磁图( 1 HNMR) 焦磷酸硫胺素(154-87-0)核磁图( 13 CNMR) 焦磷酸硫胺素(154-87-0)质谱(MS) 焦磷酸硫胺素(154-87-0)红外图谱(IR2)
- 方法一:盐酸硫胺与磷酸反应，再经盐酸处理制得。
- Sigma Aldrich:154-87-0(sigmaaldrich)
- 参考质量标准:含量≥90%，水分≤7.8%，纸色谱合格。
- 用途一:生化研究；临床用于治疗心率失常、心肌梗塞、昏迷等症。
- 焦磷酸硫胺素价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 SC875403 羧化辅酶 ≥97％（-20℃） 25g 2314元 2011/04/16 T0183 焦磷酸硫胺素 Thiamine Pyrophosphate Chloride 5G 572元 2011/04/16 T0183 焦磷酸硫胺素 Thiamine Pyrophosphate Chloride 25G 1780元
- F:3-8-10
- TCI Shanghai:焦磷酸硫胺素 Thiamine Pyrophosphate Chloride,>;98.0%(T)(154-87-0)
- 食品添加剂最大允许使用量最大允许残留量标准:添加剂中文名称 允许使用该种添加剂的食品中文名称 添加剂功能 最大允许使用量（g/kg） 最大允许残留量（g/kg） 维生素B1 西式糕点 营养强化剂 0.3-0.6mg/100g 维生素B1 运动营养食品 营养强化剂 0.2－20mg 维生素B1 较大婴儿和幼儿配方食品 营养强化剂 0.4-1.9 mg/100g 维生素B1 饼干 营养强化剂 0.3~0.6mg/100g
