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[1-Hydroxy-3-(pyridin-3-yl)propane-1,1-diyl]bis(phosphonic acid) , CAS No.104261-69-0

COA COA
In stock
Item Number
H668055
Grouped product items
SKU Size
Availability
 Price Qty
H668055-1mg
1mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$999.90
H668055-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$2,999.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet

Basic Description

Synonyms Homorisedronate | NE 58051 | NE-58051 | PLW2TN7B39 | [1-hydroxy-3-(pyridin-3-yl)propane-1,1-diyl]bis(phosphonic acid) | Phosphonic acid, (1-hydroxy-3-(3-pyridinyl)propylidene)bis- | HRX | UNII-PLW2TN7B39 | 3-(3-Pyridyl)-1-hydroxypropylidene bisphosphonic

Taxonomic Classification

Taxonomy Tree

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  Organooxygen 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 - Organooxygen 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

Product Properties

ALogP -2.8

Associated Targets(Human)

FDPS Tclin Farnesyl pyrophosphate synthase (6 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
FDPS Tclin Farnesyl diphosphate synthase (1240 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GGPS1 Tchem Geranylgeranyl pyrophosphate synthetase (715 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HFF (3142 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Escherichia coli (133304 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Trypanosoma brucei (78846 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Entamoeba histolytica (2676 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Leishmania donovani (89745 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Trypanosoma cruzi (99888 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Toxoplasma gondii (4585 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Trypanosoma brucei rhodesiense (7991 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Dictyostelium discoideum (81 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Vero (26788 Activities)
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-hydroxy-1-phosphono-3-pyridin-3-ylpropyl)phosphonic acid
INCHI InChI=1S/C8H13NO7P2/c10-8(17(11,12)13,18(14,15)16)4-3-7-2-1-5-9-6-7/h1-2,5-6,10H,3-4H2,(H2,11,12,13)(H2,14,15,16)
InChIKey ILROXFQHACCDLA-UHFFFAOYSA-N
Smiles C1=CC(=CN=C1)CCC(O)(P(=O)(O)O)P(=O)(O)O
Isomeric SMILES C1=CC(=CN=C1)CCC(O)(P(=O)(O)O)P(=O)(O)O
Molecular Weight 297.14
Reaxy-Rn 8153503
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8153503&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 297.140 g/mol
XLogP3 -2.800
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 5
Exact Mass 297.017 Da
Monoisotopic Mass 297.017 Da
Topological Polar Surface Area 148.000 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 354.000
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

Solution Calculators

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