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CDK9-IN-23

CAT: 0013-GTR19230731-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19230731-02Size:5 mg
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Description
CDK9-IN-23 is a highly potent and selective CDK9 inhibitor with an IC50 below 20 nM. It is a valuable chemical probe for studying transcription regulation in oncology research and has demonstrated utility in both cellular and in vivo models of cancer.
CAS Number
2761572-96-5
Field of Research
Cell Biology, Epigenetics & Chromatin
Smiles
ClC1=C (C2=C3C (=CC=C2) NCCO3) C=C (NC (=O) [C@@H]4C[C@H] (NC (C) =O) CCC4) N=C1
Molecular Formula
C22H25ClN4O3
Molecular Weight
428.91
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cdk9-IN-23
CAS Number2761572-96-5
PubChem CID162730823
IUPAC Namecis-(1S,3R)-3-acetamido-N-[5-chloro-4-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)-2-pyridinyl]cyclohexane-1-carboxamide
Molecular FormulaC22H25ClN4O3
Molecular Weight428.9
XLogP2.9
Topological Polar Surface Area92.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity621
SMILES
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)NC2=NC=C(C(=C2)C3=C4C(=CC=C3)NCCO4)Cl
InChI
InChI=1S/C22H25ClN4O3/c1-13(28)26-15-5-2-4-14(10-15)22(29)27-20-11-17(18(23)12-25-20)16-6-3-7-19-21(16)30-9-8-24-19/h3,6-7,11-12,14-15,24H,2,4-5,8-10H2,1H3,(H,26,28)(H,25,27,29)/t14-,15+/m0/s1
InChIKey
YQROLOUQERFVRA-LSDHHAIUSA-N
Chemical Structure
2D Structure
2D structure of Cdk9-IN-23
CAS: 2761572-96-5
CID: 162730823
Formula: C22H25ClN4O3
MW: 428.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight428.9
XLogP32.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass428.1615184
Monoisotopic Mass428.1615184
Topological Polar Surface Area92.4 Ų
Heavy Atom Count30
Formal Charge0
Complexity621
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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