Chemical structure of CAS 755038-65-4

Volasertib

CAS No.755038-65-4
MDL No.MFCD20926414
MFC34H50N8O3
MW618.80
InChI KeySXNJFOWDRLKDSF-XKHVUIRMSA-N

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Product Information

Volasertib is a pteridine derivative with the structure (7R)-7-ethyl-5-methyl-8-(propan-2-yl)-7,8-dihydropteridin-6(5H)-one substituted by a [4-({trans-4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl}carbamoyl)-2-methoxyphenyl]amino group at position 2. It is a potent polo-like kinase 1 inhibitor (IC50 = 0.87 nM) with potential antineoplastic activity. It functions as an antineoplastic agent, apoptosis inducer, and EC 2.7.11.21 (polo kinase) inhibitor. It belongs to cyclopropanes, piperazines, benzamides, monomethoxybenzenes, substituted anilines, pteridines, secondary carboxamides, tertiary amino compounds, and secondary amino compounds.

CAS No.755038-65-4
Product NameVolasertib
Heavy Atom Count45Rotatable Bond Count10
Atom Stereo Count1Bond Stereo Count0
HBA9HBD2
TPSA106.170 ŲCharge0
Exact Mass618.40059Complexity1365.21
pKa5.875XLogP4.267