2,2-difluoromevalonate 5-diphosphate - Moligand™ , Inhibitor of diphosphomevalonate decarboxylase, CAS No.D607096, Inhibitor of diphosphomevalonate decarboxylase

CAS: D607096 Cat. No.: D607096 PubChem CID: 24779755

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of diphosphomevalonate decarboxylase

Names and Identifiers

• Canonical Smiles: OC(=O)C(C(CCOP(=O)(OP(=O)(O)O)O)(O)C)(F)F
• IUPAC Name: 2,2-difluoro-3-hydroxy-5-(hydroxy-phosphonooxyphosphoryl)oxy-3-methylpentanoic acid
• InChIKey: TYAGFMDNISQMRJ-UHFFFAOYSA-N
• INCHI: 1S/C6H12F2O10P2/c1-5(11,6(7,8)4(9)10)2-3-17-20(15,16)18-19(12,13)14/h11H,2-3H2,1H3,(H,9,10)(H,15,16)(H2,12,13,14)
• Isomeric SMILES: CC(CCOP(=O)(O)OP(=O)(O)O)(C(C(=O)O)(F)F)O
• PubChem CID: 24779755

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organic oxoanionic compounds
      • Subclass Organic pyrophosphates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organic oxoanionic compounds
• Subclass: Organic pyrophosphates
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic pyrophosphates
• Alternative Parents: Short-chain hydroxy acids and derivatives Monoalkyl phosphates Hydroxy fatty acids Halogenated fatty acids Tertiary alcohols Alpha-halocarboxylic acids Fluorohydrins Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic pyrophosphate - Monoalkyl phosphate - Short-chain hydroxy acid - Halogenated fatty acid - Hydroxy fatty acid - Fatty acyl - Fatty acid - Alkyl phosphate - Phosphoric acid ester - Organic phosphoric acid derivative - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Tertiary alcohol - Fluorohydrin - Halohydrin - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Alkyl halide - Organofluoride - Organohalogen compound - Alkyl fluoride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic pyrophosphates. These are organic compounds containing the pyrophosphate oxoanion, with the structure OP([O-])(=O)OP(O)([O-])=O.
• 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

Associated Targets(Human)

MVD Tchem Diphosphomevalonate decarboxylase (1 Activities)

Discover Target: MVD

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mechanisms of Action