Ibandronate sodium structure, CAS 138844-81-2

Ibandronate sodium

CAS Number138844-81-2

SynonymsSodium hydrogen {1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl}phosphonate; BM 21.0955Na; boniva; Natriumhydrogen-{1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl}phosphonat; Phosphonic acid, (1-hydroxy-3-(methylpentylamino)propylidene)bis-, monosodium salt; SodiuM Ibandronate; hydrogène {1-hydroxy-3-[méthyl(pentyl)amino]-1-phosphonopropyl}phosphonate de sodium; Phosphonic acid, [1-hydroxy-3-(methylpentylamino)propylidene]bis-, sodium salt (1:1); phosphonic acid, [1-hydroxy-3-(methylpentylamino)propylidene]bis-, monosodium salt; sodium,hydroxy-[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphinate; Ibandronate sodium

Molecular FormulaC9H22NNaO7P2

Molecular Weight341.211

Purity

Density

Boiling Point587.8ºC at 760 mmHg

Melting Point

Flash Point

Appearancewhite

EINECS

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Symboltransportation

Signal WordWarning

Cat. No.: 2A-1168536 Purity:
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Chemical & Physical Properties
CAS Number138844-81-2
Catalog No.2A-1168536
Chinese Name伊班膦酸钠
SynonymsSodium hydrogen {1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl}phosphonate; BM 21.0955Na; boniva; Natriumhydrogen-{1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl}phosphonat; Phosphonic acid, (1-hydroxy-3-(methylpentylamino)propylidene)bis-, monosodium salt; SodiuM Ibandronate; hydrogène {1-hydroxy-3-[méthyl(pentyl)amino]-1-phosphonopropyl}phosphonate de sodium; Phosphonic acid, [1-hydroxy-3-(methylpentylamino)propylidene]bis-, sodium salt (1:1); phosphonic acid, [1-hydroxy-3-(methylpentylamino)propylidene]bis-, monosodium salt; sodium,hydroxy-[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphinate; Ibandronate sodium
Molecular FormulaC9H22NNaO7P2
Molecular Weight341.211
Boiling Point587.8ºC at 760 mmHg
Appearancewhite
Water SolubilityH2O: >10mg/mL
Storage Condition2-8°C
ApplicationIbandronate sodium is a highly active nitrogen-containing diphosphate that can be used for osteoporosis.
PubChem ID16676014
InChIInChI=1S/C9H23NO7P2.Na/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);/q;+1/p-1
InChI KeyLXLBEOAZMZAZND-UHFFFAOYSA-M
Hazard Symbolstransportation
BioactivityIbandronate Sodium is a highly potent nitrogen-containing bisphosphonate used for the treatment of osteoporosis.Target: OthersIbandronate (1.25-2 μM) significantly reduces endothelial cell growth, while ibandronate (2 μM) also significantly reduces capillary-like tube formation and increases apoptosis of endothelial cells. Ibandronate (< 100 μM) dose-dependently increases VEGF expression in endothelial cells [1]. Ibandronate (< 100 μM) inhibits growth of both prostate cancer cell lines (LNCaP and PC-3) in a dose dependent manner [2].Ibandronate administered either daily (2.5 mg) or intermittently (20 mg every other day for 12 doses every 3 months) significantly reduces the risk of new morphometric vertebral fractures by 62% and 50% (p = 0.0006), respectively, in osteoporotic women after 3 years' treatment. Ibandronate administered either daily (2.5 mg) or intermittently (20 mg every other day for 12 doses every 3 months) significantly and progressively increases BMD of lumbar spine by 6.5% and 5.7%, respectively, in osteoporotic women after 3 years' treatment [3]. Ibandronate (< 125 mg/kg s.c.) results in a dose dependent increase in bone mineral density (BMD), trabecular bone volume and trabecular number, load to failure (Fmax), and yield load in long bones and vertebrae in ovariectomized rats, and increased trabecular separation in ovariectomized rats is fully prevented by all doses [4]. Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Others References [1]. Morgan, C., S. Jeremiah, and J. Wagstaff, Metronomic administration of ibandronate and its anti-angiogenic effects in vitro. Microvasc Res, 2009. 78(3): p. 453-8. [2]. Epplen, R., et al., Differential effects of ibandronate, docetaxel and farnesol treatment alone and in combination on the growth of prostate cancer cell lines. Acta Oncol, 2011. 50(1): p. 127-33. [3]. Chesnut, I.C., et al., Effects of oral ibandronate administered daily or intermittently on fracture risk in postmenopausal osteoporosis. J Bone Miner Res, 2004. 19(8): p. 1241-9. [4]. Bauss, F., et al., Effects of treatment with ibandronate on bone mass, architecture, biomechanical properties, and bone concentration of ibandronate in ovariectomized aged rats. J Rheumatol, 2002. 29(10): p. 2200-8. Chemical & Physical Properties Boiling Point 587.8ºC at 760 mmHg Molecular Formula C9H22NNaO7P2 Molecular Weight 341.211 Flash Point 309.3ºC Exact Mass 341.076904 PSA 160.98000 LogP 0.93820 Appearance of Characters white Vapour Pressure 2.88E-16mmHg at 25°C Storage condition 2-8°C Water Solubility H2O: >10mg/mL
Use ofProperties Name Ibandronic Acid Sodium Salt Synonym More Synonyms Ibandronate sodium Biological Activity Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Others References [1]. Morgan, C., S. Jeremiah, and J. Wagstaff, Metronomic administration of ibandronate and its anti-angiogenic effects in vitro. Microvasc Res, 2009. 78(3): p. 453-8. [2]. Epplen, R., et al., Differential effects of ibandronate, docetaxel and farnesol treatment alone and in combination on the growth of prostate cancer cell lines. Acta Oncol, 2011. 50(1): p. 127-33. [3]. Chesnut, I.C., et al., Effects of oral ibandronate administered daily or intermittently on fracture risk in postmenopausal osteoporosis. J Bone Miner Res, 2004. 19(8): p. 1241-9. [4]. Bauss, F., et al., Effects of treatment with ibandronate on bone mass, architecture, biomechanical properties, and bone concentration of ibandronate in ovariectomized aged rats. J Rheumatol, 2002. 29(10): p. 2200-8. Chemical & Physical Properties Molecular Formula C9H22NNaO7P2 Exact Mass 341.076904 PSA 160.98000 LogP 0.93820 Appearance of Characters white
Transport InfoProduct name: Purity: 90.0%
MSDS Transport InfoModule 14. Shipping information 14.1 UN number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: No dangerous goods IMDG Code: No dangerous goods International Air Transport Dangerous Regulations: No dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available
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