Zoledronic acid structure, CAS 118072-93-8

Zoledronic acid

CAS Number118072-93-8

Synonymszoledronate; Zoledronic acid monohydrate; P,P′-[1-Hydroxy-2-(1H-imidazol-1-yl)ethylidene]bisphosphonic acid monohydrate; acide [1-hydroxy-2-(1H-imidazol-1-yl)éthane-1,1-diyl]bis(phosphonique); hydrogen [1-hydroxy-2-(1H-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate; [1-Hydroxy-2-(1H-imidazol-1-yl)-1,1-ethanediyl]bis(phosphonic acid); [1-Hydroxy-2-(1H-imidazol-1-yl)ethane-1,1-diyl]bis(phosphonic acid); Zometa,Zomera,Aclasta and Reclast; MFCD00867791; [1-Hydroxy-2-(1H-imidazol-1-yl)-ethylidene]bisphosphonic acid; [1-Hydroxy-2-(1H-imidazol-1-yl)ethan-1,1-diyl]bis(phosphonsäure); Zoledronic acid; Phosphonic acid (P,P'-[1-hydroxy-2-(1H-imidazol-1-yl)ethylidene]bis; [1-Hydroxy-2-(1H-imidazol-1-yl)ethylidene]bisphosphonic Acid; (1-Hydroxy-2-(1H-imidazol-1-yl)ethane-1,1-diyl)diphosphonic acid;

Molecular FormulaC5H10O7N2P2

Molecular Weight272.09

Purity98%

Density2.1±0.1 g/cm3

Boiling Point764.0±70.0 °C at 760 mmHg

Melting Point193-2040ºC

Flash Point

AppearanceWhite crystalline powder

EINECS

MSDSChineseEnglish

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Cat. No.: 2A-9008918 Purity: 98%
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Quality Control of [ 118072-93-8 ] Purity: 98% SDS Specification MoL

Chemical & Physical Properties
CAS Number118072-93-8
Catalog No.2A-9008918
Chinese Name唑来膦酸
Synonymszoledronate; Zoledronic acid monohydrate; P,P′-[1-Hydroxy-2-(1H-imidazol-1-yl)ethylidene]bisphosphonic acid monohydrate; acide [1-hydroxy-2-(1H-imidazol-1-yl)éthane-1,1-diyl]bis(phosphonique); hydrogen [1-hydroxy-2-(1H-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate; [1-Hydroxy-2-(1H-imidazol-1-yl)-1,1-ethanediyl]bis(phosphonic acid); [1-Hydroxy-2-(1H-imidazol-1-yl)ethane-1,1-diyl]bis(phosphonic acid); Zometa,Zomera,Aclasta and Reclast; MFCD00867791; [1-Hydroxy-2-(1H-imidazol-1-yl)-ethylidene]bisphosphonic acid; [1-Hydroxy-2-(1H-imidazol-1-yl)ethan-1,1-diyl]bis(phosphonsäure); Zoledronic acid; Phosphonic acid (P,P'-[1-hydroxy-2-(1H-imidazol-1-yl)ethylidene]bis; [1-Hydroxy-2-(1H-imidazol-1-yl)ethylidene]bisphosphonic Acid; (1-Hydroxy-2-(1H-imidazol-1-yl)ethane-1,1-diyl)diphosphonic acid;
Molecular FormulaC5H10O7N2P2
Molecular Weight272.09
Purity98
Density2.1±0.1 g/cm3
Boiling Point764.0±70.0 °C at 760 mmHg
Melting Point193-2040ºC
AppearanceWhite crystalline powder
Storage ConditionRoom Temperature
ApplicationZoledronic Acid is a third-generation nitrogen-containing diphosphate that can inhibit osteoclast-mediated bone resorption and also has anti-tumor activity.
HTC2933290090
MDL NumberMFCD00867791
SMILESO=P(O)(O)C(O)(Cn1ccnc1)P(=O)(O)O
InChIInChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)
InChI KeyXRASPMIURGNCCH-UHFFFAOYSA-N
MSDSmsds/8918_1_118072_93_8.pdf
Use ofZoledronic Acid is a third-generation, nitrogen-containing bisphosphonate, inhibits osteoclast-mediated bone resorption, and also has antitumor activity. Properties Name zoledronic acid Synonym More Synonyms Zoledronic acid Biological Activity Description Zoledronic Acid is a third-generation, nitrogen-containing bisphosphonate, inhibits osteoclast-mediated bone resorption, and also has antitumor activity. Related Catalog Signaling Pathways >> Autophagy >> Autophagy Research Areas >> Cancer In Vitro Zoledronic Acid induces apoptosis in HGF and HaCaT cells at 0.5 μM, and causes cell death at 1-5 μM[1]. Zoledronic Acid (50, 100 μM) causes dose- and time-dependent apoptosis in CNE-2Z cells after treatment for 24, 48, and 72 h. Zoledronic Acid (50 μM) also increases the level of ROS, which is supposed to mediate Cl- currents activation in CNE-2Z cells. Furthermore, the apoptosis and chloride currents induced by Zoledronic Acid can be blocked by knocking down ClC-3 protein expression[2]. References [1]. Scheper M, et al. A novel soft-tissue in vitro model for bisphosphonate-associated osteonecrosis. ibrogenesis Tissue Repair. 2010 Apr 1;3:6. [2]. Wang L, et al. The apoptotic effect of Zoledronic acid on the nasopharyngeal carcinoma cells via ROS mediated chloride channel activation. Clin Exp Pharmacol Physiol. 2018 Jun 8. Chemical & Physical Properties Molecular Formula C5H10N2O7P2 Exact Mass 271.996338 PSA 172.73000 LogP -2.28 Index of Refraction 1.719 InChIKey XRASPMIURGNCCH-UHFFFAOYSA-N Safety Information Hazard Codes Xi: Irritant; HS Code 2933290090 Synthetic Route Imidazol-1-yl-a... CAS#:22884-10-2 Zoledronic acid CAS#:118072-93-8 Literature: Synthon B.V. Patent: EP2192126 A1, 2010 ; Location in patent: Page/Page column 9 ; imidazol-1-yl-a... CAS#:160975-66-6 Zoledronic acid CAS#:118072-93-8 Literature: Letters in Drug Design and Discovery, , vol. 9, # 4 p. 345 - 351 zoledronate sodium CAS#:827573-10-4 Zoledronic acid CAS#:118072-93-8 Literature: Acta Crystallographica Section C: Crystal Structure Communications, , vol. 69, # 3 p. 263 - 266 Precursor & DownStream Precursor 4 CAS#:22884-10-2 Imidazol-1-yl-a... CAS#:160975-66-6 imidazol-1-yl-a... CAS#:827573-10-4 zoledronate sodium CAS#:7719-12-2 Phosphorus tric... DownStream 1 CAS#:165800-06-6 Zoledronic acid...
Tax Rebate13.0%
SupervisionNone. MFN tariff: 6.5%. Ordinary tariff: 20.0%
Transport InfoProduct name: Summary 2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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