Methylcobalamin - 10mM in DMSO , CAS No.13422-55-4

CAS: 13422-55-4 Cat. No.: M421291 Molecular Weight: 1344.38 EC Number: 236-535-3 PubChem CID: 10898559

GRADE & PURITY 10mM in DMSO

Synonyms

methylcobalamin|Mecobalamin|13422-55-4|Carbanide;cobalt(3+);[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyms

methylcobalamin | Mecobalamin | 13422-55-4 | Carbanide;cobalt(3+);[(2R, 3S, 4R, 5S)-5-(5, 6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(2R, 3R, 4Z, 7S, 9Z, 12S, 13S, 14Z, 17S, 18S, 19R)-2, 13, 18-tris(2-amino-2-oxoethyl)-7, 12, 17-tris(3-amino

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

MeCbl is a coenzyme of Methionine synthase. In the methylation cycle, methionine synthase is involved in the conversion of homocysteine to methionine. It is a major ingredient in the improvement of neurological disorder, carpal tunnel syndrome, and bell's

Storage

Protected from light, Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: [CH3-].CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=C(C7=NC(=CC8=NC(=C(C4=N5)C)C(C8(C)C)CCC(=O)N)C(C7(C)CC(=O)N)CCC(=O)N)C)[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[Co+3]
• IUPAC Name: carbanide;cobalt(3+);[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(1R,2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-24-id-3-yl]propanoylamino]propan-2-yl phosphate
• InChIKey: ZFLASALABLFSNM-WYVZQNDMSA-L
• INCHI: 1S/C62H90N13O14P.CH3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);1H3;/q;-1;+3/p-2/t31?,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1
• Isomeric SMILES: [CH3-].CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])OC(C)CNC(=O)CC[C@@]4([C@H]([C@@H]5[C@]6([C@@]([C@@H](/C(=C(/C7=N/C(=C\C8=N/C(=C(\C4=N5)/C)/[C@H](C8(C)C)CCC(=O)N)/[C@H]([C@]7(C)CC(=O)N)CCC(=O)N)\C)/[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[Co+3]
• WGK Germany: 2
• RTECS: GG3745000
• PubChem CID: 10898559
• Molecular Weight: 1344.38

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbon derivatives

• Kingdom: Organic compounds
• Superclass: Hydrocarbon derivatives
• Class: Not available
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydrocarbon derivatives
• Alternative Parents: Organic zwitterions Organic cobalt salts Saturated hydrocarbons
• Molecular Framework: Not available
• Substituents: Hydrocarbon derivative - Organic cobalt salt - Organic salt - Organic zwitterion - Saturated hydrocarbon - Hydrocarbon - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as hydrocarbon derivatives. These are derivatives of hydrocarbons obtained by substituting one or more carbon atoms by an heteroatom. They contain at least one carbon atom and heteroatom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Light sensitive.
• Molecular Weight: 1344.400 g/mol
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 20
• Rotatable Bond Count: 26
• Exact Mass: 1343.59 Da
• Monoisotopic Mass: 1343.59 Da
• Topological Polar Surface Area: 452.000 Ų
• Heavy Atom Count: 92
• Formal Charge: 0
• Complexity: 3150.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 13
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 3
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 3
• Covalently-Bonded Unit Count: 3

XLogP3

References

1. Fengshi Zhang, Qicheng Li, Bo Ma, Meng Zhang, Yuhui Kou.  (2023)  Chitosan-Based Conduits with Different Inner Diameters at both Ends Combined with Modified Formula Radix Hedysari Promote Nerve Transposition Repair.  Frontiers in Bioscience-Landmark,  28  (11): (298).  [PMID:38062831] [10.31083/j.fbl2811298]

2. Wencheng Zhao, Hengzheng Yang, Huizi Cui, Wannan Li, Shu Xing, Weiwei Han.  (2024)  Elucidating the structural basis of vitamin B12 derivatives as novel potent inhibitors of PTP1B: Insights from inhibitory mechanisms using Gaussian accelerated molecular dynamics (GaMD) and in vitro study.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:38692532] [10.1016/j.ijbiomac.2024.131902]

3. Kai Liu, Jiangbo Shao, Beibei Han, Jianfeng Liu, Shuai Yan, Bin Liu, Yao Liu.  (2025)  Conductive MeCbl/PEDOT:PSS/HA hydrogels with electrical stimulation for enhanced peripheral nerve regeneration.  Materials Today Bio,      [PMID:40290882] [10.1016/j.mtbio.2025.101755]