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[1-Hydroxy-3-(methylpentylamino)-propylidene]bisphosphonic acid sodium salt

[1-Hydroxy-3-(methylpentylamino)-propylidene]bisphosphonic acid sodium salt structure

CAS No:
138926-19-9
Formula:
C9H24NNaO8P2
Chemical Name:
[1-Hydroxy-3-(methylpentylamino)-propylidene]bisphosphonic acid sodium salt
Synonyms:
IBANDRONATE SODIUM MONOHYDRATE;Ibandrate;Ibandromate Monosodium;Sodium Trihydrogen (1-Hydroxy-3-(methylpenthylamino)propylidene)diphosphonate Monohydrate;BM-21.0955;Boniva;Bonviva;IBANDRONATE SODIUM/1-HYDROXY-3-(METHYLPENTYLAMINO)PROPYLIDENE
Categories:
Organic Chemistry > Phosphines

Description

Ibandronate 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 a

Ibandronate Sodium is the sodium salt form of ibandronic acid, a synthetic nitrogen-containing bisphosphonate. Ibandronic acid inhibits farnesyl pyrophosphate synthase, resulting in a reduction in geranylgeranyl GTPase signaling proteins and apoptosis of osteoclasts. This agent increases bone mineral density, decreases bone remodeling, inhibits osteoclast-mediated bone resorption, and reduces metastases-related and corticosteroid-related bone pain.|Aminobisphosphonate that is a potent inhibitor of BONE RESORPTION. It is used in the treatment of HYPERCALCEMIA associated with malignancy, for the prevention of fracture and bone complications in patients with breast cancer and bone metastases, and for the treatment and prevention of POSTMENOPAUSAL OSTEOPOROSIS.

[1-Hydroxy-3-(methylpentylamino)-propylidene]bisphosphonic acid sodium salt Basic Attributes

Molecular Weight：

359.23

Exact Mass：

359.087494

EC Number：

2017-001-1

UNII：

J12U072QL0

DSSTox ID：

DTXSID8046618

NCI Thesaurus Code：

C1670

ATC Code：

M05BA06

HScode：

2922199090

Characteristics

PSA：

142

Melting Point：

840C (dec)

Flash Point：

309.3ºC

Storage Conditions：

-20°C Freezer

Safety Information

Transport codes：

UN 1759 8 / PGIII

hazard class code：

safety instructions：

22-36-24/25

Marks：

Precautionary statement(s)：

P201, P202, P260, P261, P263, P264, P270, P271, P273, P280, P281, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P308+P313, P309+P311, P310, P312, P314, P321, P322, P330, P332+P313, P337+P313, P362, P363, P391, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (55.56%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P260, P261, P263, P264, P270, P271, P273, P280, P281, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P308+P313, P309+P311, P310, P312, P314, P321, P322, P330, P332+P313, P337+P313, P362, P363, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 9 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Warning|H302 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P264, P270, P273, P301+P312, P309+P311, P314, P330, P391, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

Drug Indication：

Treatment of osteoporosis in postmenopausal women at increased risk of fracture (see section 5.1). A reduction in the risk of vertebral fractures has been demonstrated, efficacy on femoral neck fractures has not been established.|Bondronat is indicated for:prevention of skeletal events (pathological fractures, bone complications requiring radiotherapy or surgery) in patients with breast cancer and bone metastases;treatment of tumour-induced hypercalcaemia with or without metastases.|Treatment of tumour-induced hypercalcaemia with or without metastases.

MeSH：

Agents that inhibit BONE RESORPTION and/or favor BONE MINERALIZATION and BONE REGENERATION. They are used to heal BONE FRACTURES and to treat METABOLIC BONE DISEASES such as OSTEOPOROSIS. (See all compounds classified as Bone Density Conservation Agents.)

MeSH Entry Terms：

(1-hydroxy-3-(methylpentylamino)propylidene)bisphosphonate

[1-Hydroxy-3-(methylpentylamino)-propylidene]bisphosphonic acid sodium salt Use and Manufacturing

Uses

An inhibitor of bone resorption

Use Classification：

Human drugs -> Bonviva -> EMA Drug Category|Drugs for treatment of bone diseases -> Human pharmacotherapeutic group|Human drugs -> Bondronat -> EMA Drug Category|Human drugs -> Destara -> EMA Drug Category|Human Drugs -> FDA Approved Drug Products with Therapeutic Equivalence Evaluations (Orange Book) -> Active Ingredients

Computed Properties

Molecular Weight:359.23
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:9
Exact Mass:359.08748500
Monoisotopic Mass:359.08748500
Topological Polar Surface Area:142
Heavy Atom Count:21
Complexity:377
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes

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Guide of [1-Hydroxy-3-(methylpentylamino)-propylidene]bisphosphonic acid sodium salt

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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[1-Hydroxy-3-(methylpentylamino)-propylidene]bisphosphonic acid sodium salt

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