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[(5-Chloro-pyridin-2-ylamino)-phosphono-methyl]-phosphonic acid , CAS No.70010-82-1

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[(5-Chloro-pyridin-2-ylamino)-phosphono-methyl]-phosphonic acid , CAS No.70010-82-1

COA

Cas Number: 70010-82-1
Molecular Weight: 302.54
PubChem CID: 405389

In stock

Item Number

C668268

Grouped product items
SKU	Size	Availability	Price	Qty
C668268-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$999.90
C668268-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,999.90

Basic Description

Synonyms	UIQ69AB4DJ \| UNII-UIQ69AB4DJ \| [(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-METHYL]-PHOSPHONIC ACID \| [{(5-CHLORO-2-PYRIDINYL)AMINO} METHYLENE]-1,1-BISPHOSPHONATE \| NSC 722618 \| NSC-722618 \| [[(5-chloro-2-pyridinyl)amino]methylene]-1,1-bisphosphonate \| (((5-Ch

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	Secondary alkylarylamines Pyridines and derivatives Imidolactams Aryl chlorides Organic phosphonic acids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organophosphorus compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Bisphosphonate - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Pyridine - Imidolactam - Organophosphonic acid - Heteroaromatic compound - Secondary amine - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Organophosphorus compound - Organonitrogen compound - Organochloride - Amine - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen 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

Product Properties

ALogP	-1.6

Associated Targets(Human)

FDPS Tclin Farnesyl pyrophosphate synthase (3 Activities)

Discover Target: FDPS

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

FDFT1 Tchem Squalene synthase (1 Activities)

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

FDPS Tclin Farnesyl diphosphate synthase (1240 Activities)

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

GLUL Tchem Glutamine synthetase (118 Activities)

Discover Target: GLUL

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

KB (17409 Activities)

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

Associated Targets(non-human)

Fdft1 Squalene synthetase (34 Activities)

Discover Target: Fdft1

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

dxr 1-deoxyxylulose-5-phosphate reductoisomerase (147 Activities)

Discover Target: dxr

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

Escherichia coli (133304 Activities)

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

Entamoeba histolytica (2676 Activities)

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

Plasmodium falciparum (966862 Activities)

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

Rattus norvegicus (775804 Activities)

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

Trypanosoma brucei rhodesiense (7991 Activities)

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

dxr 1-deoxy-D-xylulose 5-phosphate reductoisomerase (191 Activities)

Discover Target: dxr

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	[[(5-chloropyridin-2-yl)amino]-phosphonomethyl]phosphonic acid
INCHI	InChI=1S/C6H9ClN2O6P2/c7-4-1-2-5(8-3-4)9-6(16(10,11)12)17(13,14)15/h1-3,6H,(H,8,9)(H2,10,11,12)(H2,13,14,15)
InChIKey	BNMYZGAZFGNKTH-UHFFFAOYSA-N
Smiles	C1=CC(=NC=C1Cl)NC(P(=O)(O)O)P(=O)(O)O
Isomeric SMILES	C1=CC(=NC=C1Cl)NC(P(=O)(O)O)P(=O)(O)O
Molecular Weight	302.54
Reaxy-Rn	8562204
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8562204&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	302.540 g/mol
XLogP3	-1.600
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	301.962 Da
Monoisotopic Mass	301.962 Da
Topological Polar Surface Area	140.000 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	334.000
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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[(5-Chloro-pyridin-2-ylamino)-phosphono-methyl]-phosphonic acid , CAS No.70010-82-1

Basic Description

Taxonomic Classification

Product Properties

Associated Targets(Human)

Associated Targets(non-human)

Mechanisms of Action

Names and Identifiers

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

Chemical and Physical Properties

Solution Calculators

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

Reviews

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