Ibandronato di sodio - ≥98% , Farnesyl diphosphate synthase inhibitor, CAS No.138926-19-9, Farnesyl diphosphate synthase inhibitor

CAS: 138926-19-9 Cat. No.: I129388 Formula: C₉H₂₂NO₇P₂·Na·H₂O Peso molecolare: 359.23 Numero EC: 639-757-2

GRADE & PURITY ≥98%

Synonyms

DTXSID00930252 | Q27281013 | D71219 | DP-R206 COMPONENTE IBANDRONATO | Ro-200-5450 | Acido fosfonico, P,P'-[1-idrossi-3-(metilpentilammino)propilidene]bis-, sale di sodio, idrato (1:1:1) | Acido fosfonico, (1-idrossi-3-(metilpentilammino)propilidene)bis-,

Storage

Conservare a 2-8°C

Shipped In

Ghiaccio umido

Panoramica

L'ibandronato è un bifosfonato altamente potente contenente azoto, utilizzato per il trattamento dell'osteoporosi.
È un inibitore del riassorbimento osseo.

Specifications

Sinonimi

DTXSID00930252 | Q27281013 | D71219 | DP-R206 COMPONENTE IBANDRONATO | Ro-200-5450 | Acido fosfonico, P,P'-[1-idrossi-3-(metilpentilammino)propilidene]bis-, sale di sodio, idrato (1:1:1) | Acido fosfonico, (1-idrossi-3-(metilpentilammino)propilidene)bis-,

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

L'ibandronato sodico monoidrato inibisce il riassorbimento osseo come sale sodico e complessato con tecnezio Tc 99m per l'imaging osseo. I monofosfonati non sono attivi e i bifosfonati sono utilizzati nei disturbi che colpiscono lo scheletro, come le mala

Condizioni di conservazione di stoccaggio

Conservare a 2-8°C

Spedito in

Ghiaccio umido

Tipo di azione

INHIBITOR

Meccanismo d'azione

Farnesyl diphosphate synthase inhibitor

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504769488

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504769488

Sorrisi canonici

CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)[O-].O.[Na+]

IUPAC Name

sodium;hydroxy-[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphinate;hydrate

InChIKey

VBDRTGFACFYFCT-UHFFFAOYSA-M

INCHI

1S/C9H23NO7P2.Na.H2O/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17;;/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17);;1H2/q;+1;/p-1

Isomeri SMILES

CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)[O-].O.[Na+]

Peso molecolare

359.23

Reaxy-Rn

11333707

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11333707&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Organic phosphonic acids and derivatives
      • Subclass Bisphosphonates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Organic phosphonic acids and derivatives
• Subclass: Bisphosphonates
• Intermediate Tree Nodes: Not available
• Direct Parent: Bisphosphonates
• Alternative Parents: Organic phosphonic acids 1,3-aminoalcohols Trialkylamines Organophosphorus compounds Organooxygen compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Bisphosphonate - 1,3-aminoalcohol - Organophosphonic acid - Tertiary amine - Tertiary aliphatic amine - Organic alkali metal salt - Organic sodium salt - Organic salt - Organic zwitterion - Organic nitrogen compound - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Amine - Hydrocarbon derivative - Aliphatic acyclic compound
• Descrizione: 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

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

Obiettivi associati (non umani)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in water (72 mg/ml at 25 °C), ethanol (<1 mg/ml at 25 °C), and DMSO (<1 mg/ml at 25 °C).
• Sensibilità: light sensitive
• Peso molecolare: 359.230 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 359.087 Da
• Monoisotopic Mass: 359.087 Da
• Topological Polar Surface Area: 142.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 377.000
• 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: 3

XLogP3