3-azageranylgeranyl diphosphate - Moligand™ , Inhibitor of geranylgeranyl diphosphate synthase, CAS No.A607150, Inhibitor of geranylgeranyl diphosphate synthase

CAS: A607150 Cat. No.: A607150 PubChem CID: 447278

GRADE & PURITY Moligand™

Synonyms

DTXSID70332249 | 2-[methyl-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]amino]ethyl phosphono hydrogen phosphate | 3-Azageranylgeranyl diphosphate | 2-[METHYL-(5-GERANYL-4-METHYL-PENT-3-ENYL)-AMINO]-ETHYL-DIPHOSPHATE | BDBM50113289 | GTPL3199 | 3-aza-g

Storage

Room temperature

Specifications

Sinonimi

DTXSID70332249 | 2-[methyl-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]amino]ethyl phosphono hydrogen phosphate | 3-Azageranylgeranyl diphosphate | 2-[METHYL-(5-GERANYL-4-METHYL-PENT-3-ENYL)-AMINO]-ETHYL-DIPHOSPHATE | BDBM50113289 | GTPL3199 | 3-aza-g

Specifiche e purezza

Moligand™

Condizioni di conservazione di stoccaggio

Room temperature

Grado

Moligand™

Tipo di azione

INHIBITOR

Meccanismo d'azione

Inhibitor of geranylgeranyl diphosphate synthase

Nomi e identificatori

• Sorrisi canonici: CN(CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)CCOP(=O)(OP(=O)(O)O)O
• IUPAC Name: {[hydroxy(2-{methyl[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]amino}ethoxy)phosphoryl]oxy}phosphonic acid
• InChIKey: OEMBPHBKZPOPBN-NWLVNBMCSA-N
• INCHI: 1S/C19H37NO7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13H,6-8,10,12,14-16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+
• Isomeri SMILES: CC(=CCC/C(=C/CC/C(=C/CCN(C)CCOP(=O)(O)OP(=O)(O)O)/C)/C)C
• PubChem CID: 447278

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Prenol lipids
      • Subclass Sesquiterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Prenol lipids
• Subclass: Sesquiterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Sesquiterpenoids
• Alternative Parents: Organic pyrophosphates Phosphoethanolamines Monoalkyl phosphates Trialkylamines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sesquiterpenoid - Farsesane sesquiterpenoid - Organic pyrophosphate - Phosphoethanolamine - Monoalkyl phosphate - Alkyl phosphate - Phosphoric acid ester - Organic phosphoric acid derivative - Tertiary aliphatic amine - Tertiary amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
• 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

Obiettivi associati (umani)

GGPS1 Tchem Geranylgeranyl pyrophosphate synthase (2 Activities)

Discover Target: GGPS1

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 453.400 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 15
• Exact Mass: 453.205 Da
• Monoisotopic Mass: 453.205 Da
• Topological Polar Surface Area: 117.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 663.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1