ZOSUQUIDAR TRIHYSROCHLORIDE
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ZOSUQUIDAR TRIHYSROCHLORIDE
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CAS No:
167465-36-3
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Formula:
C32H31F2N3O2.3ClH
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Chemical Name:
ZOSUQUIDAR TRIHYSROCHLORIDE
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Synonyms:
LY335979 (Zosuquidar 3HCl);ZOSUQUIDAR TRIHYSROCHLORIDE;LY335979, RS 33295-198;ZosuquidarTrihydrochloride;(2R)-1-{4-[(1aR,6r,10bS)-1,1-Difluoro-1,1a,6,10b-tetrahydrodibenzo[a,e]cyclopropa[c]cyclohepten-6-yl]piperazin-1-yl}-3-(quinolin-5-yloxy)propan-2-ol trihydrochloride;LY335979;RS 33295-198;[6(R)-(1aα,6α,10bα)]-4-(1,1-difluoro-1,1a,6,10b-tetrahydrodibenzo[a,e]cyclopropa[c]cyclohepten-6-yl)-α-[(5-quinolinyloxy)Methyl]-piperazineethanol trihydrochloride, (2R)-anti-5-{3-[4-(10,11-difluoroMethanodibenzosuber-5-yl)piperazin-1-yl]-2-hydroxypropoxy
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CAS No:
Description
Pale Yellow Solid
Zosuquidar Trihydrochloride is a difluorocyclopropyl quinoline. Zosuquidar trihydrochloride binds with high affinity to P-glycoprotein and inhibits P-glycoprotein-mediated multidrug resistance (MDR). P-glycoprotein, encoded by the MDR-1 gene, is a member of the ATP-binding cassette superfamily of transmembrane transporters and prevents the intracellular accumulation of many natural product-derived cytotoxic agents. (NCI04)
Characteristics
48.8
7.49320
172-176°C
690.5ºC at 760mmHg
371.4ºC
Hygroscopic, -20°C Freezer, Under Inert Atmosphere
Safety Information
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
Drug Information
(2R)-anti-5-(3-(4-(10,11-difluoromethanodibenzo-suber-5-yl)piperazin-1-yl)2-hydroxypropoxy)quinoline trihydrochloride
ZOSUQUIDAR TRIHYSROCHLORIDE Use and Manufacturing
Multi-drug resistance (MDR) modulator; selective inhibitor of P-glycoprotein (P-gp). Antineoplastic adjunct (chemosensitizer).
Human drugs -> Rare disease (orphan)
Computed Properties
Molecular Weight:637.0
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:635.168467
Monoisotopic Mass:635.168467
Topological Polar Surface Area:48.8
Heavy Atom Count:42
Complexity:806
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:4
Compound Is Canonicalized:Yes
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