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CJM-061

CAT: 0013-GTR19209867-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209867-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CJM-061 is a potent and selective small molecule inhibitor of the Wee1 kinase. It is utilized in cancer research to investigate cell cycle checkpoint abrogation, demonstrating activity in both in vitro cellular assays and in vivo tumor model studies.
CAS Number
1847445-87-7
Smiles
C (C=C) N1N (C=2C (C1=O) =CN=C (NC3=CC=C (C=C3) N4CCN (C (OC) =O) CC4) N2) C=5N=C (C (C) (C) O) C=CC5
Molecular Formula
C28H32N8O4
Molecular Weight
544.6
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate
CAS Number1847445-87-7
PubChem CID129081124
IUPAC Namemethyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate
Molecular FormulaC28H32N8O4
Molecular Weight544.6
XLogP3
Topological Polar Surface Area127
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count40
Formal Charge0
Complexity905
SMILES
CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C(=O)OC)O
InChI
InChI=1S/C28H32N8O4/c1-5-13-35-25(37)21-18-29-26(32-24(21)36(35)23-8-6-7-22(31-23)28(2,3)39)30-19-9-11-20(12-10-19)33-14-16-34(17-15-33)27(38)40-4/h5-12,18,39H,1,13-17H2,2-4H3,(H,29,30,32)
InChIKey
VCLYGPVPCZNFFL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate
CAS: 1847445-87-7
CID: 129081124
Formula: C28H32N8O4
MW: 544.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight544.6
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass544.25465153
Monoisotopic Mass544.25465153
Topological Polar Surface Area127 Ų
Heavy Atom Count40
Formal Charge0
Complexity905
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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