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piridronic acid , CAS No.75755-07-6, Inhibitor of farnesyl diphosphate synthase

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piridronic acid , CAS No.75755-07-6, Inhibitor of farnesyl diphosphate synthase

COA

Grade & Purity:

Moligand™

Cas Number: 75755-07-6
PubChem CID: 57637

In stock

Item Number

P612846

Grouped product items
SKU	Size	Availability	Price	Qty
P612846-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$800.90
P612846-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,500.90

View related series

farnesyl diphosphate synthase Inhibitor (21)

Basic Description

Synonyms	[1-phosphono-2-(pyridin-2-yl)ethyl]phosphonic acid \| Acide piridronique \| Acidum piridronicum \| SCHEMBL223779 \| GTPL3183 \| Acide piridronique [French] \| Piridronic acid [INN] \| (2-(2-Pyridyl)ethylidene)diphosphonic acid \| ADD4H8T3K9 \| 2-(2-Pyridyl)ethylid
Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Inhibitor of farnesyl diphosphate synthase

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	Pyridines and derivatives Organic phosphonic acids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organophosphorus compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Bisphosphonate - Pyridine - Heteroaromatic compound - Organophosphonic acid - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organonitrogen 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

Associated Targets(Human)

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

Associated Targets(non-human)

Rattus norvegicus (775804 Activities)

Explore this target

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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	[1-phosphono-2-(pyridin-2-yl)ethyl]phosphonic acid
INCHI	InChI=1S/C7H11NO6P2/c9-15(10,11)7(16(12,13)14)5-6-3-1-2-4-8-6/h1-4,7H,5H2,(H2,9,10,11)(H2,12,13,14)
InChIKey	NGMZSXZBZNXBGX-UHFFFAOYSA-N
Smiles	OP(=O)(C(P(=O)(O)O)Cc1ccccn1)O
Isomeric SMILES	C1=CC=NC(=C1)CC(P(=O)(O)O)P(=O)(O)O
PubChem CID	57637

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	267.110 g/mol
XLogP3	-2.300
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	267.006 Da
Monoisotopic Mass	267.006 Da
Topological Polar Surface Area	128.000 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	301.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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