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HS-152

CAT: 0013-GTR19210316-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210316-01Size:25 mg
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Description
HS-152 is a novel, reversible small molecule inhibitor that directly targets the catalytic HECT domain of Smurf1. It potently inhibits Smurf1 auto-ubiquitination and its E3 ligase activity, blocking ubiquitin transfer to substrates. This inhibitor is a valuable chemical probe for studying Smurf1-related pathways in bone metabolism, cell polarity, and tumorigenesis in both cellular and animal models.
CAS Number
2284548-09-8
Smiles
C (=O) (C1=CC (NC (NC (=O) C2=CC=C (Cl) C=C2) =O) =CC=C1) N3CCN (C) CC3
Molecular Formula
C20H21ClN4O3
Molecular Weight
400.86
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-Chloro-N-((3-(4-methylpiperazine-1-carbonyl)phenyl)carbamoyl)benzamide
CAS Number2284548-09-8
PubChem CID137796969
IUPAC Name4-chloro-N-[[3-(4-methylpiperazine-1-carbonyl)phenyl]carbamoyl]benzamide
Molecular FormulaC20H21ClN4O3
Molecular Weight400.9
XLogP2.8
Topological Polar Surface Area81.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity572
SMILES
CN1CCN(CC1)C(=O)C2=CC(=CC=C2)NC(=O)NC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H21ClN4O3/c1-24-9-11-25(12-10-24)19(27)15-3-2-4-17(13-15)22-20(28)23-18(26)14-5-7-16(21)8-6-14/h2-8,13H,9-12H2,1H3,(H2,22,23,26,28)
InChIKey
OTPUQDJJEKBVQM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Chloro-N-((3-(4-methylpiperazine-1-carbonyl)phenyl)carbamoyl)benzamide
CAS: 2284548-09-8
CID: 137796969
Formula: C20H21ClN4O3
MW: 400.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight400.9
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass400.1302182
Monoisotopic Mass400.1302182
Topological Polar Surface Area81.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity572
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

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