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

CAS: 1007476-63-2 Cat. No.: M647809 분자식: C₂₂H₄₃F₃LiO₆P 분자량: 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

개요

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

동의어

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

사양 및 순도

≥99%

생화학 및 생리적 메커니즘

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.

보관 조건

Store at -20°C,Desiccated

배송

Ice chest + Ice pads

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작업 유형

INHIBITOR

순수함

≥99%

이름과 식별자

정식 스마일

[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

이성체 SMILES

[Li+].CCCCCCCCCCCCCCCCOCC(COCC(F)(F)F)OP(=O)([O-])OC

대체 CAS

199106-13-3

PubChem CID

4214

분자량

498.48

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 분자량: 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