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BI-2536

CAT: 1410-M15870-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M15870-01Size:2 mg
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Description
A potent and selective inhibitor of PLK1 with IC50 of 0.83 nM.
CAS Number
755038-02-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
521.6544
Molecular Formula
C28H39N7O3
Notes
Research use only, not for human use.
Receptor
Met|PI3Kα|PLK1|PLK2|PLK3

Chemical Information

Bi 2536

BI-2536 is a member of the class of tetrahydropterins that is 7,8-dihydropteridin-6(5H)-one substituted by {2-methoxy-4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl}amino, methyl, ethyl, and cyclopentyl groups at positions 2, 5, 7R, and 8, respectively. It is a polo-like kinase 1 (PLK1) inhibitor with antineoplastic activity. It has a role as an EC 2.7.11.21 (polo kinase) inhibitor, an antineoplastic agent and an apoptosis inducer. It is a secondary carboxamide, a member of benzamides, a member of cyclopentanes, a monomethoxybenzene, a member of piperidines, a tetrahydropterin, a substituted aniline, a secondary amino compound and a tertiary amino compound.

CAS Number755038-02-9
PubChem CID11364421
IUPAC Name4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
Molecular FormulaC28H39N7O3
Molecular Weight521.7
XLogP3.7
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count38
Formal Charge0
Complexity816
SMILES
CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C
InChI
InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1
InChIKey
XQVVPGYIWAGRNI-JOCHJYFZSA-N
Chemical Structure
2D Structure
2D structure of Bi 2536
CAS: 755038-02-9
CID: 11364421
Formula: C28H39N7O3
MW: 521.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight521.7
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass521.31143813
Monoisotopic Mass521.31143813
Topological Polar Surface Area103 Ų
Heavy Atom Count38
Formal Charge0
Complexity816
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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