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P38α inhibitor 9

CAT: 0931-T206722-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T206722-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2133007-20-0
Target
Wee1, CDK, MAPK, p38 MAPK
Related Pathways
Cell Cycle/Checkpoint, MAPK
Bioactivity
P38α inhibitor9 (Compound 2015) is a p38α inhibitor that effectively blocks the enzyme activity of p38α, with an IC50 of less than 20 nM. It inhibits MK2T334 phosphorylation and activates Cdc25b and Cdc25c while inactivating Wee1, leading to mitotic catastrophe, aneuploidy or polyploidy, and DNA damage. Additionally, p38α inhibitor9 can suppress colorectal cancer (CRC) metastasis.
Smiles
O=C(NC)C1=CC=C2C(=C1)C(=O)C3=CC=C(C=C3CC2)NC4=CC=C(F)C(=C4)NC(=O)C5CC5
Molecular Formula
C27H24FN3O3
Molecular Weight
457.496
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

13-[3-(cyclopropanecarbonylamino)-4-fluoroanilino]-N-methyl-2-oxotricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-5-carboxamide
CAS Number2133007-20-0
PubChem CID137631669
IUPAC Name13-[3-(cyclopropanecarbonylamino)-4-fluoroanilino]-N-methyl-2-oxotricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-5-carboxamide
Molecular FormulaC27H24FN3O3
Molecular Weight457.5
XLogP4.2
Topological Polar Surface Area87.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity787
SMILES
CNC(=O)C1=CC2=C(CCC3=C(C2=O)C=CC(=C3)NC4=CC(=C(C=C4)F)NC(=O)C5CC5)C=C1
InChI
InChI=1S/C27H24FN3O3/c1-29-26(33)18-7-3-15-2-6-17-12-19(8-10-21(17)25(32)22(15)13-18)30-20-9-11-23(28)24(14-20)31-27(34)16-4-5-16/h3,7-14,16,30H,2,4-6H2,1H3,(H,29,33)(H,31,34)
InChIKey
SBUOAPYCHJMYIZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 13-[3-(cyclopropanecarbonylamino)-4-fluoroanilino]-N-methyl-2-oxotricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-5-carboxamide
CAS: 2133007-20-0
CID: 137631669
Formula: C27H24FN3O3
MW: 457.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight457.5
XLogP34.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass457.18016980
Monoisotopic Mass457.18016980
Topological Polar Surface Area87.3 Ų
Heavy Atom Count34
Formal Charge0
Complexity787
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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