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CDK8/19-IN-2

CAT: 0804-HY-158377Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-158377Size:1 Each
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Description
CDK8/19-IN-2 (compound 12) is an orally active and potent cyclin-dependent kinase 8/19 (CDK8 and CDK19) inhibitor, with IC50 values of 2.08 and 2.49 nM, respectively. CDK8/19-IN-2 can be used for acute myeloid leukemia (AML), breast cancer, and lymphoma research[1].
CAS Number
3024381-54-9
UNSPSC
12352005
Target
CDK; STAT
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; JAK/STAT Signaling; Stem Cell/Wnt
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/cdk8-19-in-2.html
Smiles
BrC1=C(C=C2N(C(N3CCNCC3)=NC2=C1C(F)F)C4CCOCC4)Br
Molecular Formula
C17H20Br2F2N4O
Molecular Weight
494.17
References & Citations
[1]Xu J, et al. Discovery of a Novel and Potent Cyclin-Dependent Kinase 8/19 (CDK8/19) Inhibitor for the Treatment of Cancer. J Med Chem. 2024 May 23;67 (10) :8161-8171.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
CDK19; CDK8

Chemical Information

Cdk8/19-IN-2
CAS Number3024381-54-9
PubChem CID171714300
IUPAC Name5,6-dibromo-4-(difluoromethyl)-1-(oxan-4-yl)-2-piperazin-1-ylbenzimidazole
Molecular FormulaC17H20Br2F2N4O
Molecular Weight494.2
XLogP3.6
Topological Polar Surface Area42.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity480
SMILES
C1COCCC1N2C3=CC(=C(C(=C3N=C2N4CCNCC4)C(F)F)Br)Br
InChI
InChI=1S/C17H20Br2F2N4O/c18-11-9-12-15(13(14(11)19)16(20)21)23-17(24-5-3-22-4-6-24)25(12)10-1-7-26-8-2-10/h9-10,16,22H,1-8H2
InChIKey
YRFOQHHFWYWAST-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cdk8/19-IN-2
CAS: 3024381-54-9
CID: 171714300
Formula: C17H20Br2F2N4O
MW: 494.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight494.2
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass493.99514
Monoisotopic Mass491.99719
Topological Polar Surface Area42.3 Ų
Heavy Atom Count26
Formal Charge0
Complexity480
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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