Smurf1-IN-1

• CAT Number: I040943
• CAS Number: 1824708-03-3
• Molecular Formula: C24H29ClN6O2
• Molecular Weight: 468.98
• Purity: ≥95%
• Synonyms: 1-(2-chloro-4-cyclopropylphenyl)-N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-methyltriazole-4-carboxamide
• InChI: InChI=1S/C24H29ClN6O2/c1-14-22(24(33)31(29(14)3)18-7-5-4-6-8-18)26-23(32)21-15(2)30(28-27-21)20-12-11-17(13-19(20)25)16-9-10-16/h11-13,16,18H,4-10H2,1-3H3,(H,26,32)
• InChIKey: DJCHYTWZRDUVHQ-UHFFFAOYSA-N
• SMILES: CC1=C(C(=O)N(N1C)C2CCCCC2)NC(=O)C3=C(N(N=N3)C4=C(C=C(C=C4)C5CC5)Cl)C

Smurf1-IN-1 is an orally active and selective inhibitor of specific E3 ubiquitin protein ligase 1 (SMURF1) with an IC50 of 92 nM. Smurf1-IN-1 has significant efficacy in rats model of pulmonary hypertension[1].
Smurf1-IN-1 (Compound 38) (1, 3, 10 mg/kg for p.o.) has significant efficacy in rats model of pulmonary hypertension[1].
Smurf1-IN-1 (1 mg/kg for i.v., 3 mg/kg for p.o.) shows a T1/2 of 7.9, and oral bioavailability of 82%[1].
Pharmacokinetic parameters for Smurf1-IN-1 (Compound 38) in rats [1]

dose and route
oral bioavailability (%)
p.o. AUClast (nM • h /mL)
p.o. Cmax (nM/L)
half-life (h)
claearance (mL/min/kg)
Vss (1/kg)

3 mpg p.o./1 mpg i.v.
82
7383
2007
7.9
17.1
2.3

Reference

[1]. Shaw DE, et.al. Design and Synthesis of Inhibitors of the E3 Ligase SMAD Specific E3 Ubiquitin Protein Ligase 1 as a Treatment for Lung Remodeling in Pulmonary Arterial Hypertension. J Med Chem. 2023 Jun 22;66(12):8130-8139.
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