Structure

ispinesib

CAS
336113-53-2
Catalog Number
ACM-MG-336113532
Category
Molecular Glues
Molecular Weight
517.07
Molecular Formula
C30H33ClN4O2

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Specification

Description
Ispinesib is an autophagic molecular degrader. It reduces mHTT levels through autophagic degradation by interacting with both the autophagosome protein microtubule-associated protein 1A/1B light chain 3 (LC3)1 and mutant huntingtin protein (mHTT). It is also a potent, specific and reversible inhibitor of kinesin spindle protein (KSP) with Ki app of 1.7 nM.
Synonyms
8F20; SB-715992
IUPAC Name
N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide
SMILES
CC(C)C(N(CCCN)C(=O)C1=CC=C(C)C=C1)C1=NC2=CC(Cl)=CC=C2C(=O)N1CC1=CC=CC=C1
InChI
InChI=1S/C30H33ClN4O2/c1-20(2)27(34(17-7-16-32)29(36)23-12-10-21(3)11-13-23)28-33-26-18-24(31)14-15-25(26)30(37)35(28)19-22-8-5-4-6-9-22/h4-6,8-15,18,20,27H,7,16-17,19,32H2,1-3H3/t27-/m1/s1
InChI Key
QJZRFPJCWMNVAV-HHHXNRCGSA-N
Solubility
Soluble in DMSO, DMF
Appearance
White solid
Shipping
Room temperature
Storage Conditions
Refrigerated

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