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Chemical structure of p38-α MAPK-IN-1

GC30158

p38-α MAPK-IN-1

Also known as 1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea

p38-α MAPK-IN-1 is an inhibitor of MAPK14 (p38-α), with IC50 of 2300 nM in EFC displacement assay, and 5500 nM in HTRF assay

ChemicalCAS443913-15-3MW477.6FormulaC27H35N5O3
CAS number
443913-15-3
Molecular weight
477.6
Formula
C27H35N5O3
Solubility
DMSO ： ≥ 100 mg/mL (209·38 mM);Water ： ＜ 0·1 mg/mL (insoluble)
InChIKey
FRZNJFWQVYAVCE-UHFFFAOYSA-N
Catalogue number
GC30158
Brand
GLPBIO
Computed properties PubChem CID 10972838 · XLogP 4.5 · TPSA 80.7 Ų · H-bond donors 2
XLogP
4.5
TPSA
80.7 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
35

SMILES CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C=C3)OCCN4CCOCC4

Computed descriptors from PubChem (CID 10972838), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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