BPH-629 - Moligand™, ≥98% , Inhibitor of geranylgeranyl diphosphate synthase, CAS No.946417-20-5, Inhibitor of geranylgeranyl diphosphate synthase

CAS: 946417-20-5 Cat. No.: B608191 Molecular Weight: 448.30 PubChem CID: 16122553

GRADE & PURITY Moligand™, ≥98%

Synonyms

BPH 629;BPH629

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

BPH-629 is a bioactive chemical.

Specifications

Synonyms

BPH 629;BPH629

Specifications & Purity

Moligand™, ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of geranylgeranyl diphosphate synthase

Purity

≥98%

Names and Identifiers

• Canonical Smiles: OP(=O)(C(P(=O)(O)O)(Cc1cccc(c1)c1cccc2c1oc1c2cccc1)O)O
• IUPAC Name: [2-(3-dibenzofuran-4-ylphenyl)-1-hydroxy-1-phosphonoethyl]phosphonic acid
• InChIKey: BYVXAUZOTGITQZ-UHFFFAOYSA-N
• INCHI: 1S/C20H18O8P2/c21-20(29(22,23)24,30(25,26)27)12-13-5-3-6-14(11-13)15-8-4-9-17-16-7-1-2-10-18(16)28-19(15)17/h1-11,21H,12H2,(H2,22,23,24)(H2,25,26,27)
• Isomeric SMILES: C1=CC=C2C(=C1)C3=C(O2)C(=CC=C3)C4=CC=CC(=C4)CC(O)(P(=O)(O)O)P(=O)(O)O
• PubChem CID: 16122553
• Molecular Weight: 448.30

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzofurans
      • Subclass Phenylbenzofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzofurans
• Subclass: Phenylbenzofurans
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylbenzofurans
• Alternative Parents: Dibenzofurans Bisphosphonates Benzene and substituted derivatives Organic phosphonic acids Heteroaromatic compounds Furans Oxacyclic compounds Organopnictogen compounds Organophosphorus compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylbenzofuran - Dibenzofuran - Bisphosphonate - Monocyclic benzene moiety - Benzenoid - Furan - Organophosphonic acid - Organophosphonic acid derivative - Heteroaromatic compound - Oxacycle - Organooxygen compound - Organopnictogen compound - Organic oxygen compound - Organophosphorus compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylbenzofurans. These are organic aromatic compounds that contain a phenyl group attached to a benzofuran moiety. Benzofuran is a bicyclic compound containing a benzene fused to a furan.
• External Descriptors: dibenzofurans

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 (2 Activities)

Discover Target: GGPS1

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

GGPS1 Tchem Geranylgeranyl pyrophosphate synthetase (715 Activities)

Discover Target: GGPS1

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

Associated Targets(non-human)

Candida albicans (78123 Activities)

Explore this target

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

Mechanisms of Action