CAS 13870-90-1|coenzyme B12
Introduction：Basic information about CAS 13870-90-1|coenzyme B12, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | coenzyme B12 | ||
|---|---|---|---|
| CAS Number | 13870-90-1 | Molecular Weight | 1579.582 |
| Density | / | Boiling Point | / |
| Molecular Formula | C72H99CoN18O17P | Melting Point | / |
| MSDS | ChineseUSA | Flash Point | / |
Names
| Name | cobamamide |
|---|---|
| Synonym | More Synonyms |
coenzyme B12 BiologicalActivity
| Description | Adenosylcobalamin (Coenzyme B12;Cobamamide;AdoCbl) is an active form of Vitamin B12 which is a cofactor for methylmalonyl CoA mutase[1] |
|---|---|
| Related Catalog | Research Areas >>Metabolic Disease |
| In Vitro | Adenosylcobalamin serves as the cofactor for a group of enzymes that catalyze unusual rearrangement or elimination reactions[1]. |
| References | [1]. Kumudha A, et al. Characterization of vitamin B12 in Dunaliella salina. J Food Sci Technol. 2016 Jan;53(1):888-94. [2]. Marsh EN, et al. Adenosylcobalamin enzymes: Theory and experiment begin to converge. Biochim Biophys Acta. 2012 Nov;1824(11):1154-64. |
Chemical & Physical Properties
| Molecular Formula | C72H99CoN18O17P |
|---|---|
| Molecular Weight | 1579.582 |
| Exact Mass | 1578.658325 |
| PSA | 583.18000 |
| LogP | 6.19200 |
| InChIKey | OAJLVMGLJZXSGX-PCUCPSGKSA-L |
| SMILES | CC1=C2N=C(C=C3N=C(C(C)=C4[N-]C(C(CC(N)=O)C4(C)CCC(=O)NCC(C)OP(=O)([O-])OC4C(CO)OC(n5cnc6cc(C)c(C)cc65)C4O)C4(C)N=C1C(CCC(N)=O)C4(C)CC(N)=O)C(CCC(N)=O)C3(C)C)C(CCC(N)=O)C2(C)CC(N)=O.[CH2-]C1OC(n2cnc3c(N)ncnc32)C(O)C1O.[Co+3] |
| Storage condition | 2-8°C |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2 gm/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: -,405,1990
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2 gm/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: -,405,1990
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1 gm/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: -,405,1990
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 5 gm/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: -,405,1990
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 2 gm/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: -,405,1990
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 1 gm/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: -,405,1990
Safety Information
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| Hazard Codes | Xi |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S22-S24/25 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| RTECS | GG3800000 |
| HS Code | 2936260000 |
Customs
| HS Code | 2936260000 |
|---|
Articles47
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| Assessing the stability of membrane proteins to detect ligand binding using differential static light scattering. J. Biomol. Screen. 15 , 314-20, (2010) Protein stabilization upon ligand binding has frequently been used to identify ligands for soluble proteins. Methods such as differential scanning fluorimetry (DSF) and differential static light scatt... | |
| Chemical screening methods to identify ligands that promote protein stability, protein crystallization, and structure determination. Proc. Natl. Acad. Sci. U. S. A. 103 , 15835-40, (2006) The 3D structures of human therapeutic targets are enabling for drug discovery. However, their purification and crystallization remain rate determining. In individual cases, ligands have been used to ... |
Synonyms
| 5'-Deoxyadenosylcobalamin |
| a-(5,6-Dimethylbenzimidazolyl)-Co-5'-deoxyadenosylcobamide |
| DBC |
| 5,6-Dimethylbenzimidazolyl-Co-5'-deoxyadenosylcobamide |
| Coenzyme B12 |
| Dibenzcozamide |
| Coenzyme B12 |
| DBC coenzyme |
| Adenosyl cobalamine |
| Indusil T |
| α-(5,6-Dimethylbenzimidazolyl)cobamide coenzyme |
| Vitamin B12 coenzyme |
| 5,6-Dimethylbenzimidazolylcobamide 5'-Deoxyadenosine |
| Dimebenzcozamide |
| Adenosyl-B12 |
| Calomide |
| AdoCbl |
| DBC (VAN) |
| Cobamamide |
| Cobalamine coenzyme |
| Deoxyadenosylcobalamin |
| 5'-Deoxyadenosylcobalamine |
| Cobalamin coenzyme |
| a-(5,6-Dimethylbenzimidazolyl)cobamide coenzyme |
| Co-(5'-Deoxy-5'-adenosyl)-a-(5,6-dimethyl-1H-benzimidazolyl)cobamide |
| 5'-Deoxyadenosyl Vtamin B12 |
| Funacomide |
| Dibencozide |
| Desoxyadenosylcobalamine |
