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Chemical structure of p38α inhibitor 2

GC62404

p38α inhibitor 2

Also known as N-cyclopropyl-4-methyl-3-[3-[2-[2-[2-(methylamino)ethoxy]phenyl]propan-2-ylamino]-2-oxopyrazin-1-yl]benzamide

p38α inhibitor 2 is a highly potent and selective p38α MAPK inhibitor, with a pIC50 of 9·6

ChemicalCAS1095003-80-7MW475.58FormulaC27H33N5O3
CAS number
1095003-80-7
Molecular weight
475.58
Formula
C27H33N5O3
Solubility
DMSO ： 250 mg/mL (525·67 mM; Need ultrasonic)
InChIKey
SAZVRXTVWZAHBI-UHFFFAOYSA-N
Catalogue number
GC62404
Brand
GLPBIO
Computed properties PubChem CID 25145735 · XLogP 2.7 · TPSA 95.1 Ų · H-bond donors 3
XLogP
2.7
TPSA
95.1 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
35

SMILES CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=CN=C(C3=O)NC(C)(C)C4=CC=CC=C4OCCNC

Computed descriptors from PubChem (CID 25145735), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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