BPH-715 , CAS No.1059677-23-4, Inhibitor of geranylgeranyl diphosphate synthase

Name: BPH-715 , CAS No.1059677-23-4, Inhibitor of geranylgeranyl diphosphate synthase
Price: 159.9 USD
Availability: InStock

Grade & Purity:

Moligand™

In stock

Item Number

B608194

Grouped product items
SKU	Size	Availability	Price
B608194-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$159.90
B608194-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$359.90
B608194-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$569.90
B608194-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$899.90
B608194-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,119.90

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Synonyms	1059677-23-4 \| [2-(3-decoxypyridin-1-ium-1-yl)-1-phosphonoethyl]-hydroxyphosphinate \| EX-A6311 \| Q27075455 \| BPH715 \| BPH-715 \| 3-(decyloxy)-1-(2-hydrogen phosphonato-2-phosphonoethyl)pyridin-1-ium \| bisphosphonate, 15 \| YD43M7UAP4 \| hydrogen (2-(3-(decyl
Specifications & Purity	Moligand™, ≥98%
Storage Temp	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
Product Description	BPH-715 is a bisphosphonate, inhibits Plasmodium liver-stage growth, with an IC50 of 10 μM for Plasmodium exoerythrocytic forms in HepG2 cells.

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	Alkyl aryl ethers Pyridinium derivatives Organic phosphonic acids Heteroaromatic compounds Azacyclic compounds Organophosphorus compounds Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Bisphosphonate - Alkyl aryl ether - Pyridine - Pyridinium - Organophosphonic acid - Heteroaromatic compound - Organoheterocyclic compound - Ether - Azacycle - Organic salt - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic 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
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

IUPAC Name	[2-(3-decoxypyridin-1-ium-1-yl)-1-phosphonoethyl]-hydroxyphosphinate
INCHI	InChI=1S/C17H31NO7P2/c1-2-3-4-5-6-7-8-9-13-25-16-11-10-12-18(14-16)15-17(26(19,20)21)27(22,23)24/h10-12,14,17H,2-9,13,15H2,1H3,(H3-,19,20,21,22,23,24)
InChIKey	QYJHUOZDBUEKQC-UHFFFAOYSA-N
Smiles	CCCCCCCCCCOC1=C[N+](=CC=C1)CC(P(=O)(O)O)P(=O)(O)[O-]
Isomeric SMILES	CCCCCCCCCCOC1=C[N+](=CC=C1)CC(P(=O)(O)O)P(=O)(O)[O-]
Alternate CAS	1059677-23-4
PubChem CID	25014899
Molecular Weight	423.38

Molecular Weight	423.400 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	14
Exact Mass	423.158 Da
Monoisotopic Mass	423.158 Da
Topological Polar Surface Area	131.000 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	491.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Basic Description