Products for Research Use Only
RegisterLogin

Smurf1-IN-1

CAT: 0804-HY-149316-01Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-149316-01Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
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].
CAS Number
1824708-03-3
UNSPSC
12352005
Target
E1/E2/E3 Enzyme
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Neuroscience-Neuromodulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/smurf1-in-1.html
Purity
99.47
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(C1=C(C)N(C2=CC=C(C3CC3)C=C2Cl)N=N1)NC4=C(C)N(C)N(C5CCCCC5)C4=O
Molecular Formula
C24H29ClN6O2
Molecular Weight
468.98
References & Citations
[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.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Smurf1-IN-1
CAS Number1824708-03-3
PubChem CID118513267
IUPAC Name1-(2-chloro-4-cyclopropylphenyl)-N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-methyltriazole-4-carboxamide
Molecular FormulaC24H29ClN6O2
Molecular Weight469.0
XLogP5
Topological Polar Surface Area83.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity811
SMILES
CC1=C(C(=O)N(N1C)C2CCCCC2)NC(=O)C3=C(N(N=N3)C4=C(C=C(C=C4)C5CC5)Cl)C
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
Chemical Structure
2D Structure
2D structure of Smurf1-IN-1
CAS: 1824708-03-3
CID: 118513267
Formula: C24H29ClN6O2
MW: 469.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight469.0
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass468.2040519
Monoisotopic Mass468.2040519
Topological Polar Surface Area83.4 Ų
Heavy Atom Count33
Formal Charge0
Complexity811
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

Related Products

CatalogName
HY-110195-01Smurf1-IN-A01
HY-174416Smurf1-IN-5
HY-P87078-01SMURF1 Antibody (YA6771, Rabbit)
HY-RS18717Smurf1 Mouse Pre-designed siRNA Set A
HY-RS25204Smurf1 Rat Pre-designed siRNA Set A
HY-RS13459SMURF1 Human Pre-designed siRNA Set A
HY-P701513-01SMURF2, Human
HY-N6838-011,1,1,1-Kestohexaose
HY-P701512-01SMURF2, Human (His)
HY-157129AMPK-α1β1γ1 activator 1

Alternative Products

CatalogName
BA7396-10Smurf1-IN-1
T70872-01Smurf1 inhibitor 1
PPL00684-2aPcDNA3.1-SMURF1
T200362-01Smurf1 ligand 1
577268-01SMURF1
PVTB00684-2apcDNA3.1-SMURF1 Plasmid
BA4183-10Smurf1-IN-A01
70R-20411SMURF1 antibody
577271-01SMURF1 (HRP)
577269-01SMURF1 (Biotin)

Popular Products