Unii-SJ5A8151JO , Monocyte differentiation antigen CD14 inhibitor, CAS No.630112-41-3, Monocyte differentiation antigen CD14 inhibitor

CAS: 630112-41-3 Cat. No.: U671189 Molecular Weight: 581.8 PubChem CID: 45138527

Synonyms

VB-201 | CHEMBL4297333 | DB15259 | VB 201 | AKOS040749744 | SCHEMBL2071230 | (R)-2-(4-carboxybutoxy)-3-(hexadecyloxy)propyl (2-(trimethylammonio)ethyl) phosphate | SJ5A8151JO | VB 201 [WHO-DD] | UNII-SJ5A8151JO | 1-PALMITYL-2-(4-CARBOXYBUTYL)-SN-GLYCERO-3

Storage

Room temperature

Specifications

Synonyms

VB-201 | CHEMBL4297333 | DB15259 | VB 201 | AKOS040749744 | SCHEMBL2071230 | (R)-2-(4-carboxybutoxy)-3-(hexadecyloxy)propyl (2-(trimethylammonio)ethyl) phosphate | SJ5A8151JO | VB 201 [WHO-DD] | UNII-SJ5A8151JO | 1-PALMITYL-2-(4-CARBOXYBUTYL)-SN-GLYCERO-3

Storage

Room temperature

Action Type

INHIBITOR

Mechanism of action

Monocyte differentiation antigen CD14 inhibitor

Product Properties

• ALogP: 6.7

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OCCCCC(=O)O
• IUPAC Name: [(2R)-2-(4-carboxybutoxy)-3-hexadecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
• InChIKey: JGGNOCUEWOGWPL-MUUNZHRXSA-N
• INCHI: 1S/C29H60NO8P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-35-26-28(36-24-20-18-21-29(31)32)27-38-39(33,34)37-25-22-30(2,3)4/h28H,5-27H2,1-4H3,(H-,31,32,33,34)/t28-/m1/s1
• Isomeric SMILES: CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OCCCCC(=O)O
• PubChem CID: 45138527
• Molecular Weight: 581.8

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Glycerophospholipids
      • Subclass Glycerophosphocholines

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Glycerophospholipids
• Subclass: Glycerophosphocholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkylglycerol-3-phosphocholines
• Alternative Parents: Phosphocholines Glycerol ethers Dialkyl phosphates Fatty acids and conjugates Tetraalkylammonium salts Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkylglycero-3-phosphocholine - Phosphocholine - Choline - Glycerol ether - Dialkyl phosphate - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Fatty acid - Quaternary ammonium salt - Tetraalkylammonium salt - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organic salt - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Amine - Organic oxide - Carbonyl group - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkylglycerol-3-phosphocholines. These are glycerophosphocholines in which the glycerol moiety is bonded to two aliphatic (saturated or unsaturated) chains through ether linkages.
• 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