MJ33 lithium salt - ≥99% , CAS No.1007476-63-2

CAS: 1007476-63-2 Cat. No.: M647809 Molecular Weight: 498.48 PubChem CID: 4214

GRADE & PURITY ≥99%

Synonyms

MJ 33 Lithium Salt | MJ33 (lithium salt) | 1-Hexadecyl-3-(trifluoroethyl)-sn-glycero-2-phosphomethanol lithium | MJ33LithiumSalt | mj33 lithium salt | HY-115062 | lithium;[1-hexadecoxy-3-(2,2,2-trifluoroethoxy)propan-2-yl] methyl phosphate | AKOS040745238

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

MJ33 is an active-site-directed, specific, competitive, and reversible phospholipase A2 (PLA2) inhibitor. MJ33 blocks the calcium-independent phospholipase A2 (iPLA2) activity of Prdx6.

Form:Solid

Specifications

Synonyms

MJ 33 Lithium Salt | MJ33 (lithium salt) | 1-Hexadecyl-3-(trifluoroethyl)-sn-glycero-2-phosphomethanol lithium | MJ33LithiumSalt | mj33 lithium salt | HY-115062 | lithium;[1-hexadecoxy-3-(2, 2, 2-trifluoroethoxy)propan-2-yl] methyl phosphate | AKOS040745238

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

MJ33 is an active-site-directed, specific, competitive, and reversible phospholipase A2 (PLA2) inhibitor. MJ33 blocks the calcium-independent phospholipase A2 (iPLA2) activity of Prdx6.

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

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

Action Type

INHIBITOR

Purity

≥99%

Names and Identifiers

• Canonical Smiles: [Li+].CCCCCCCCCCCCCCCCOCC(COCC(F)(F)F)OP(=O)([O-])OC
• IUPAC Name: lithium;[1-hexadecoxy-3-(2,2,2-trifluoroethoxy)propan-2-yl] methyl phosphate
• InChIKey: GDLMLQJISATCEL-UHFFFAOYSA-M
• INCHI: 1S/C22H44F3O6P.Li/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-29-18-21(31-32(26,27)28-2)19-30-20-22(23,24)25;/h21H,3-20H2,1-2H3,(H,26,27);/q;+1/p-1
• Isomeric SMILES: [Li+].CCCCCCCCCCCCCCCCOCC(COCC(F)(F)F)OP(=O)([O-])OC
• Alternate CAS: 199106-13-3
• PubChem CID: 4214
• Molecular Weight: 498.48

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic phosphoric acids and derivatives
      • Subclass Phosphate esters
        • Level5 Alkyl phosphates
          • Level6 Dialkyl phosphates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic phosphoric acids and derivatives
• Subclass: Phosphate esters
• Intermediate Tree Nodes: Alkyl phosphates
• Direct Parent: Dialkyl phosphates
• Alternative Parents: Glycerol ethers Organic metal halides Organic lithium salts Dialkyl ethers Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Glycerol ether - Dialkyl phosphate - Dialkyl ether - Ether - Organic metal halide - Organic alkali metal salt - Organic lithium salt - Alkyl halide - Organic oxygen compound - Organooxygen compound - Organofluoride - Organohalogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Alkyl fluoride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly two alkyl chain.
• 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

• Molecular Weight: 498.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 23
• Exact Mass: 498.291 Da
• Monoisotopic Mass: 498.291 Da
• Topological Polar Surface Area: 77.100 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 472.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3