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CC90001 free base 1mg

CAT: 0628-A22567-1Size: 1 mgDry Ice: NoHazardous: No
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CAS Number
1403859-14-2

Chemical Information

Cc-90001

JNK1 Inhibitor BMS-986360 is an orally bioavailable, second-generation inhibitor of c-Jun N-terminal kinase 1 (JNK-1; JNK1; mitogen-activated protein kinase 8; MAPK8), with potential antineoplastic, anti-inflammatory and anti-fibrotic activities. Upon oral administration, JNK1 inhibitor BMS-986360 selectively targets, binds to and inhibits the activity of JNK1. Inhibition of JNK1-mediated mitogen-activated protein kinase (MAPK)-signaling pathways induces cell cycle arrest and apoptosis, decreases migration and invasion, and inhibits proliferation in JNK1-overexpressing cancer cells. Inhibition of JNK1-mediated pathways may also decrease fibrosis. JNK1, a member of the MAPK family and stress-activated protein, plays a role in the MAPK-mediated signaling pathway. It is often dysregulated in cancer cells and fibrosis.

CAS Number1403859-14-2
PubChem CID71237511
IUPAC Name2-(tert-butylamino)-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide
Molecular FormulaC16H27N5O2
Molecular Weight321.42
XLogP2.3
Topological Polar Surface Area113
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity412
SMILES
C[C@@H]1CC[C@H](C[C@H]1O)NC2=NC(=NC=C2C(=O)N)NC(C)(C)C
InChI
InChI=1S/C16H27N5O2/c1-9-5-6-10(7-12(9)22)19-14-11(13(17)23)8-18-15(20-14)21-16(2,3)4/h8-10,12,22H,5-7H2,1-4H3,(H2,17,23)(H2,18,19,20,21)/t9-,10-,12-/m1/s1
InChIKey
QBBRJRLJWXRSHQ-CKYFFXLPSA-N
Chemical Structure
2D Structure
2D structure of Cc-90001
CAS: 1403859-14-2
CID: 71237511
Formula: C16H27N5O2
MW: 321.42
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight321.42
XLogP32.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass321.21647512
Monoisotopic Mass321.21647512
Topological Polar Surface Area113 Ų
Heavy Atom Count23
Formal Charge0
Complexity412
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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