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Potrasertib

CAT: 0957-E4737-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0957-E4737-03Size:100 mg
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Description
Potrasertib (IMP7068, WEE1-IN-10) is a potent and selective inhibitor of WEE1 Kinase. It displays antitumor activity and is well-tolerated in patients with advanced solid tumors.
CAS Number
2226938-19-6
Synonyms
IMP7068, WEE1-IN-10
Target
Wee1
Activity
Cell Cycle
Molecular Formula
C28H30Cl2N8O

Chemical Information

Potrasertib

Potrasertib is a small molecule drug. The usage of the INN stem '-sertib' in the name indicates that Potrasertib is a serine/threonine kinase inhibitor. Potrasertib has a monoisotopic molecular weight of 564.19 Da.

CAS Number2226938-19-6
PubChem CID139503236
IUPAC Name7-(2,6-dichlorophenyl)-12-[3-methyl-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]anilino]-2,5,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),5,9,11-tetraen-8-one
Molecular FormulaC28H30Cl2N8O
Molecular Weight565.5
XLogP5
Topological Polar Surface Area80.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count39
Formal Charge0
Complexity917
SMILES
C[C@@H]1CN(C[C@@H](N1C)C)C2=C(C=C(C=C2)NC3=NC=C4C(=N3)N5CCN=C5N(C4=O)C6=C(C=CC=C6Cl)Cl)C
InChI
InChI=1S/C28H30Cl2N8O/c1-16-12-19(8-9-23(16)36-14-17(2)35(4)18(3)15-36)33-27-32-13-20-25(34-27)37-11-10-31-28(37)38(26(20)39)24-21(29)6-5-7-22(24)30/h5-9,12-13,17-18H,10-11,14-15H2,1-4H3,(H,32,33,34)/t17-,18+
InChIKey
BNVDJVMTLDUCGH-HDICACEKSA-N
Chemical Structure
2D Structure
2D structure of Potrasertib
CAS: 2226938-19-6
CID: 139503236
Formula: C28H30Cl2N8O
MW: 565.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight565.5
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass564.1919630
Monoisotopic Mass564.1919630
Topological Polar Surface Area80.2 Ų
Heavy Atom Count39
Formal Charge0
Complexity917
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
C03318-25mgPotrasertib

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