NE58027 - Moligand™ , Inhibitor of farnesyl diphosphate synthase, CAS No.116162-16-4, Inhibitor of farnesyl diphosphate synthase

CAS: 116162-16-4 Cat. No.: N612207 PubChem CID: 14231197

GRADE & PURITY Moligand™

Synonyms

NE 58027

Storage

Room temperature

Specifications

Synonymes

NE 58027

Spécifications et pureté

Moligand™

Conditions de stockage de stockage

Room temperature

Grade

Moligand™

Type d'action

INHIBITOR

Mécanisme d'action

Inhibitor of farnesyl diphosphate synthase

Noms et identifiants

Sourires canoniques

OP(=O)(C(P(=O)(O)O)(CC1CCCCN1)O)O

IUPAC Name

[1-hydroxy-1-phosphono-2-(piperidin-2-yl)ethyl]phosphonic acid

InChIKey

GKUBJNUBGKBXKR-UHFFFAOYSA-N

INCHI

1S/C7H17NO7P2/c9-7(16(10,11)12,17(13,14)15)5-6-3-1-2-4-8-6/h6,8-9H,1-5H2,(H2,10,11,12)(H2,13,14,15)

Isomères SMILES

C1CCNC(C1)CC(O)(P(=O)(O)O)P(=O)(O)O

PubChem CID

14231197

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Organic phosphonic acids and derivatives
• Subclass: Bisphosphonates
• Intermediate Tree Nodes: Not available
• Direct Parent: Bisphosphonates
• Alternative Parents: Piperidines Organic phosphonic acids 1,3-aminoalcohols Dialkylamines Azacyclic compounds Organophosphorus compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Bisphosphonate - Piperidine - 1,3-aminoalcohol - Organophosphonic acid - Secondary aliphatic amine - Secondary amine - Organoheterocyclic compound - Azacycle - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Aliphatic heteromonocyclic 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

Cibles associées (humaines)

FDPS Tclin Farnesyl pyrophosphate synthase (8 Activities)

Discover Target: FDPS

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

FDPS Tclin Farnesyl diphosphate synthase (1240 Activities)

Discover Target: FDPS

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action