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CDK8-IN-15

CAT: 0804-HY-162600Size: 1 EachDry Ice: NoHazardous: No
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Description
CDK8-IN-15 (Compound 46) is a potent CDK8 inhibitors with an IC50 value of 57 nM. It can enhance the thermal stability of CDK8 along with inhibition against NF-κB and have favourable selectivity across the CDK family and tyrosine kinase. Additionally, it also demostrates a positive effect in vitro psoriasis model induced by TNF-α and alleviats the inflammatory response enhancing the expression of Foxp3 and IL-10, which is promising for research of psoriasis diseases[1].
CAS Number
2988020-03-5
UNSPSC
12352005
Target
CDK
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/cdk8-in-15.html
Smiles
O=C(NC1=CC(OC)=C(C2=CC(C=CN3)=C3N=C2)C=C1)N4CCOCC4
Molecular Formula
C19H20N4O3
Molecular Weight
352.39
References & Citations
[1]Yan YY, et al.The discovery of a novel pyrrolo[2,3-b]pyridine as a selective CDK8 inhibitor offers a new approach against psoriasis[J]. 2024 May 6;175, 0753-3322.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
CDK8

Chemical Information

Cdk8-IN-15
CAS Number2988020-03-5
PubChem CID171716848
IUPAC NameN-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholine-4-carboxamide
Molecular FormulaC19H20N4O3
Molecular Weight352.4
XLogP1.7
Topological Polar Surface Area79.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity485
SMILES
COC1=C(C=CC(=C1)NC(=O)N2CCOCC2)C3=CN=C4C(=C3)C=CN4
InChI
InChI=1S/C19H20N4O3/c1-25-17-11-15(22-19(24)23-6-8-26-9-7-23)2-3-16(17)14-10-13-4-5-20-18(13)21-12-14/h2-5,10-12H,6-9H2,1H3,(H,20,21)(H,22,24)
InChIKey
YXAOIPGVZAETAD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cdk8-IN-15
CAS: 2988020-03-5
CID: 171716848
Formula: C19H20N4O3
MW: 352.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight352.4
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass352.15354051
Monoisotopic Mass352.15354051
Topological Polar Surface Area79.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity485
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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