(2-carbamimidamido-1-hydroxy-1-phosphonoethyl)phosphonic acid - Moligand™ , Inhibitor of geranylgeranyl diphosphate synthase, CAS No.C609295, Inhibitor of geranylgeranyl diphosphate synthase

CAS: C609295 Cat. No.: C609295 PubChem CID: 25023896

GRADE & PURITY Moligand™

Synonyms

bisphosphonate, 51 | compound 51

Storage

Room temperature

Specifications

Synonyms

bisphosphonate, 51 | compound 51

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of geranylgeranyl diphosphate synthase

Names and Identifiers

• Canonical Smiles: NC(=N)NCC(P(=O)(O)O)(P(=O)(O)O)O
• IUPAC Name: (2-carbamimidamido-1-hydroxy-1-phosphonoethyl)phosphonic acid
• InChIKey: ZZHOMRYFXNLXOZ-UHFFFAOYSA-N
• INCHI: 1S/C3H11N3O7P2/c4-2(5)6-1-3(7,14(8,9)10)15(11,12)13/h7H,1H2,(H4,4,5,6)(H2,8,9,10)(H2,11,12,13)
• Isomeric SMILES: C(C(O)(P(=O)(O)O)P(=O)(O)O)N=C(N)N
• PubChem CID: 25023896

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic phosphonic acids and derivatives
      • Subclass Bisphosphonates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic phosphonic acids and derivatives
• Subclass: Bisphosphonates
• Intermediate Tree Nodes: Not available
• Direct Parent: Bisphosphonates
• Alternative Parents: Organic phosphonic acids Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Organophosphorus compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Bisphosphonate - Organophosphonic acid - Guanidine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as bisphosphonates. These are organic compounds containing two phosphonate groups linked together through a carbon atoms.
• 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)

GGPS1 Tchem Geranylgeranyl pyrophosphate synthase (1 Activities)

Discover Target: GGPS1

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

Mechanisms of Action