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JSH-150

CAT: 1410-M13607-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M13607-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
JSH-150 (JSH150) is a potent, highly selective inhibitor of CDK9 kinase with IC50 of 1 nM in the biochemical assays, displays 300-10000-fold selectivity over other CDK kinase family members (CDK7 IC50=1.72 uM) .
CAS Number
2247481-21-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
505.078
Molecular Formula
C24H33ClN6O2S
Notes
Research use only, not for human use.
Receptor
CDK

Chemical Information

4-(((4-(5-Chloro-2-((trans-4-((2-methoxyethyl)amino)cyclohexyl)amino)pyridin-4-yl)thiazol-2-yl)amino)methyl)tetrahydro-2H-pyran-4-carbonitrile
CAS Number2247481-21-4
PubChem CID134814484
IUPAC Name4-[[[4-[5-chloro-2-[[4-(2-methoxyethylamino)cyclohexyl]amino]-4-pyridinyl]-1,3-thiazol-2-yl]amino]methyl]oxane-4-carbonitrile
Molecular FormulaC24H33ClN6O2S
Molecular Weight505.1
XLogP4
Topological Polar Surface Area132
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Heavy Atom Count34
Formal Charge0
Complexity667
SMILES
COCCNC1CCC(CC1)NC2=NC=C(C(=C2)C3=CSC(=N3)NCC4(CCOCC4)C#N)Cl
InChI
InChI=1S/C24H33ClN6O2S/c1-32-11-8-27-17-2-4-18(5-3-17)30-22-12-19(20(25)13-28-22)21-14-34-23(31-21)29-16-24(15-26)6-9-33-10-7-24/h12-14,17-18,27H,2-11,16H2,1H3,(H,28,30)(H,29,31)
InChIKey
XSDZPPRQLIZLDG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(((4-(5-Chloro-2-((trans-4-((2-methoxyethyl)amino)cyclohexyl)amino)pyridin-4-yl)thiazol-2-yl)amino)methyl)tetrahydro-2H-pyran-4-carbonitrile
CAS: 2247481-21-4
CID: 134814484
Formula: C24H33ClN6O2S
MW: 505.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight505.1
XLogP34
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Exact Mass504.2074232
Monoisotopic Mass504.2074232
Topological Polar Surface Area132 Ų
Heavy Atom Count34
Formal Charge0
Complexity667
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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A22164-25JSH-150 25mg
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