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CDK9-IN-34

CAT: 0804-HY-164619-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-164619-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CDK9-IN-34 (Compound 1b) is an inhibitor for CDK9 with an IC50 of 0.25 μM. CDK9-IN-34 exhibits cytotoxicity to cancer cell HCT116, MCF7 and K652 with IC50s of 1.43, 3.01 and 50.27 μM, respectively. CDK9-IN-34 exhibits antiviral activity against coronavirus 229E with an IC50 of 145.92 μM[1].
CAS Number
252725-86-3
UNSPSC
12352005
Target
CDK; SARS-CoV
Type
Reference compound
Related Pathways
Anti-infection; Cell Cycle/DNA Damage
Applications
COVID-19-anti-virus
Field of Research
Cancer; Infection
Assay Protocol
https://www.medchemexpress.com/cdk9-in-34.html
Purity
99.82
Solubility
DMSO : 12.5 mg/mL (ultrasonic;warming;heat to 60°C)
Smiles
N12C=CN=CC1=NC(C3=CC=CC=C3)=C2NC4CCCCC4
Molecular Formula
C18H20N4
Molecular Weight
292.38
References & Citations
[1]Alsfouk AA, et al., Synthesis and Biological Evaluation of Imadazo[1,2-a]pyrazines as Anticancer and Antiviral Agents through Inhibition of CDK9 and Human Coronavirus. Pharmaceuticals (Basel) . 2022 Jul 13;15 (7) :859.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
CDK9

Chemical Information

N-cyclohexyl-2-phenylimidazo[1,2-a]pyrazin-3-amine
CAS Number252725-86-3
PubChem CID4082657
IUPAC NameN-cyclohexyl-2-phenylimidazo[1,2-a]pyrazin-3-amine
Molecular FormulaC18H20N4
Molecular Weight292.4
XLogP4.5
Topological Polar Surface Area42.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity349
SMILES
C1CCC(CC1)NC2=C(N=C3N2C=CN=C3)C4=CC=CC=C4
InChI
InChI=1S/C18H20N4/c1-3-7-14(8-4-1)17-18(20-15-9-5-2-6-10-15)22-12-11-19-13-16(22)21-17/h1,3-4,7-8,11-13,15,20H,2,5-6,9-10H2
InChIKey
DVAXVUYGVGRJNV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-cyclohexyl-2-phenylimidazo[1,2-a]pyrazin-3-amine
CAS: 252725-86-3
CID: 4082657
Formula: C18H20N4
MW: 292.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight292.4
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass292.16879665
Monoisotopic Mass292.16879665
Topological Polar Surface Area42.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity349
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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