ZOSUQUIDAR TRIHYSROCHLORIDE

Base Information

• Chemical Name: ZOSUQUIDAR TRIHYSROCHLORIDE
• CAS No.: 167465-36-3
• Molecular Formula: C₃₂H₃₁F₂N₃O₂*3ClH
• Molecular Weight: 636.997
• Mol file: 167465-36-3.mol

Synonyms:1-Piperazineethanol,4-(1,1-difluoro-1,1a,6,10b-tetrahydrodibenzo[a,e]cyclopropa[c]cyclohepten-6-yl)-a-[(5-quinolinyloxy)methyl]-,trihydrochloride, [6(R)-(1aa,6a,10ba)]-;1-Piperazineethanol, 4-[(1aa,6a,10ba)-1,1-difluoro-1,1a,6,10b-tetrahydrodibenzo[a,e]cyclopropa[c]cyclohepten-6-yl]-a-[(5-quinolinyloxy)methyl]-,trihydrochloride, (aR)- (9CI);LY 335979;RS 33295-198;Zosuquidar hydrochloride;Zosuquidartrihydrochloride;

Chemical Property of ZOSUQUIDAR TRIHYSROCHLORIDE

Chemical Property:

• Vapor Pressure: 5.11E-20mmHg at 25°C
• Melting Point: 172-176°C
• Boiling Point: 690.5 °C at 760 mmHg
• Flash Point: 371.4 °C
• PSA: 48.83000
• LogP: 7.49320
• Storage Temp.: Hygroscopic, -20?C Freezer, Under Inert Atmosphere
• Solubility.: Methanol (Slightly), Water (Slightly, Sonicated)

Purity/Quality:

98% ^*data from raw suppliers

ZosuquidarTrihydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Multi-drug resistance (MDR) modulator; selective inhibitor of P-glycoprotein (P-gp). Antineoplastic adjunct (chemosensitizer).

Technology Process of ZOSUQUIDAR TRIHYSROCHLORIDE

There total 1 articles about ZOSUQUIDAR TRIHYSROCHLORIDE which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 74.6%

5-[(2R)-oxiranylmethoxy]-quinoline (145679-40-9) + (1aα,6α,10bα)-1-(1,1-difluoro-1,1a,6,10b-tetrahydrodibenzo[a,e]cyclopropa[c]cyclohepten-6-yl)-piperazine hydrochloride → zosuquidar trihydrochloride (167465-36-3,474276-97-6)

Guidance literature:

(1aα,6α,10bα)-1-(1,1-difluoro-1,1a,6,10b-tetrahydrodibenzo[a,e]cyclopropa[c]cyclohepten-6-yl)-piperazine hydrochloride; With sodium carbonate; In ethanol; at 20 - 25 ℃; for 1.5h;

(R)-5-(oxiranylmethoxy)-quinoline; In ethanol; at 60 - 70 ℃; for 36h;

With hydrogenchloride; In ethanol; for 17h;

DOI:10.1021/jo049051v

Reference yield:

4-acetyl-benzoic acid (586-89-0) + zosuquidar trihydrochloride (167465-36-3,474276-97-6) → C51H50F2N6O6

Guidance literature:

Multi-step reaction with 2 steps

1.1: triethylamine / chloroform / 0.25 h

1.2: 18 h / 20 °C / Inert atmosphere

2.1: methanol / 1.5 h / 20 °C

With triethylamine; In methanol; chloroform;

DOI:10.1021/acs.biomac.7b00291

upstream raw materials:

5-[(2R)-oxiranylmethoxy]-quinoline

Refernces