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Minodronic acid

Minodronic acid structure

CAS No:
180064-38-4
Formula:
C9H12N2O7P2
Chemical Name:
Minodronic acid
Synonyms:
Phosphonic acid,P,P′-(1-hydroxy-2-imidazo[1,2-a]pyridin-3-ylethylidene)bis-;Phosphonic acid,(1-hydroxy-2-imidazo[1,2-a]pyridin-3-ylethylidene)bis-;Imidazo[1,2-a]pyridine,phosphonic acid deriv.;P,P′-(1-Hydroxy-2-imidazo[1,2-a]pyridin-3-ylethylidene)bis[phosphonic acid];YH 529;YM 529;Minodronic acid;ONO 5920;BPH 261;Recalbon;Bonoteo;[1-Hydroxy-2-(imidazo[1,2-a]pyridin-3-yl)ethylidene]bisphosphonic acid;(1-Hydroxy-2-(imidazo[1,2-a]pyridin-3-yl)ethane-1,1-diyl)diphosphonicacid;1-Hydroxy-2-(Imidazo[1,2-a]pyridin-3-yl)ethane-1,1-diphosphonic acid;127657-42-5
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

Description

Minodronic acid (YM-529) is a third-generation bisphosphonate that directly and indirectly prevents proliferation, induces apoptosis, and inhibits metastasis of various types of cancer cells. Minodronic acid (YM-529) is an antagonist of purinergic P2X2/3 receptors involved in pain[1][2].

Minodronic acid Basic Attributes

Molecular Weight：

322.148302

Exact Mass：

322.15

EC Number：

1592732-453-0

UNII：

40SGR63TGL

NSC Number：

725590

DSSTox ID：

DTXSID4048779

HScode：

2933990090

Characteristics

PSA：

153

XLogP3：

-2.2

Density：

1.973 g/cm3

Safety Information

Precautionary statement(s)：

P201, P202, P261, P264, P270, P271, P280, P281, P301+P310, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P201, P202, P264, P270, P281, P301+P310, P308+P313, P321, P330, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

Drug Indication：

Investigated for use/treatment in multiple myeloma, breast cancer, osteoporosis, and lung cancer.

MeSH Entry Terms：

(1-hydroxy-2-(imidazo(1,2-a)-pyridin-3-yl)ethylidene)bisphosphonic acid monohydrate

Computed Properties

Molecular Weight:322.15
XLogP3:-2.2
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:322.01197472
Monoisotopic Mass:322.01197472
Topological Polar Surface Area:153
Heavy Atom Count:20
Complexity:439
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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