CAS 114084-78-5|ibandronic acid

Introduction:Basic information about CAS 114084-78-5|ibandronic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Nameibandronic acid
CAS Number114084-78-5Molecular Weight319.229
Density1.5±0.1 g/cm3Boiling Point587.8±60.0 °C at 760 mmHg
Molecular FormulaC9H23NO7P2Melting Point113-115ºC
MSDS/Flash Point309.3±32.9 °C

Names

NameIbandronate
SynonymMore Synonyms

ibandronic acid BiologicalActivity

DescriptionIbandronic acid 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 CatalogSignaling Pathways >>Others >>OthersResearch 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

Density1.5±0.1 g/cm3
Boiling Point587.8±60.0 °C at 760 mmHg
Melting Point113-115ºC
Molecular FormulaC9H23NO7P2
Molecular Weight319.229
Flash Point309.3±32.9 °C
Exact Mass319.094971
PSA158.15000
LogP-0.65
Vapour Pressure0.0±3.7 mmHg at 25°C
Index of Refraction1.538
InChIKeyMPBVHIBUJCELCL-UHFFFAOYSA-N
SMILESCCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O
Storage condition-20°C Freezer

Safety Information

HS Code2931900090

Customs

HS Code2931900090
Summary2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%

Synonyms

{1-Hydroxy-3-[methyl(pentyl)amino]propane-1,1-diyl}bis(phosphonic acid)
Bondronat
[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acid
ibandronic acid
Ibandronic acid [BAN:INN]
phosphonic acid, 1-hydroxy-3-(methylpentylamino)propylidenebis-
(1-Hydroxy-3-(methylpentylamino)propylidene)bisphosphonic acid
{1-Hydroxy-3-[methyl(pentyl)amino]-1,1-propanediyl}bis(phosphonic acid)
{1-hydroxy-3-methyl(pentyl)aminopropane-1,1-diyl}bis(phosphonic acid)
Phosphonic acid, [1-hydroxy-3-(methylpentylamino)propylidene]bis-
(1-Hydroxy-3-(methyl(pentyl)amino)propane-1,1-diyl)diphosphonic acid
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