Description
Key facts
CAS number:336113-53-2,
Purity:>98%,
Form:SolidSee storage information,
Molecular weight:517.1 Da,
Molecular formula:C30H33ClN4O2,
PubChem:6851740,
Nature:Synthetic,
Solubility:Soluble in DMSO to 50 mMSoluble in ethanol to 100 mM,
Biochemical name:Ispinesib,
Biological description:A potent, selective and reversible allosteric inhibitor of KSP with IC50 value of 0.5 nM. Often combines with chemotherapy drugs to tumor treatment.,
Canonical smiles:CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C,
Isomeric smiles:CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C,
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,
InChiKey:QJZRFPJCWMNVAV-HHHXNRCGSA-N,
IUPAC Name:N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide
Properties and Storage Information:
Shipped at conditions-Blue Ice, Appropriate short-term storage conditions--20°C, Appropriate long-term storage conditions--20°C
