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Chemical structure of Smurf1 modulator-1

GC75722

Smurf1 modulator-1

Also known as N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-5-[(2R,3S)-3,5,5-trimethyl-1,4-dioxan-2-yl]-1,2-oxazole-3-carboxamide

Smurf1 modulator-1 (Compound 20) is a selective inhibitor for Smad ubiquitination regulatory factor 1 (Smurf1), with IC50 of 180 nM

ChemicalCAS1825371-51-4MW446.54FormulaC23H34N4O5
CAS number
1825371-51-4
Molecular weight
446.54
Formula
C23H34N4O5
Solubility
DMSO： 125 mg/mL (279·93 mM; Need ultrasonic)
InChIKey
LVDRKBFVIUBIBB-MGPUTAFESA-N
Catalogue number
GC75722
Brand
GLPBIO
Computed properties PubChem CID 118511179 · XLogP 2.8 · TPSA 97.1 Ų · H-bond donors 1
XLogP
2.8
TPSA
97.1 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
32

SMILES C[C@H]1[C@@H](OCC(O1)(C)C)C2=C(C(=NO2)C(=O)NC3=C(N(N(C3=O)C4CCCCC4)C)C)C

Computed descriptors from PubChem (CID 118511179), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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