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CMPD-39

CAT: 0804-HY-141659-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-141659-05Size:25 mg
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Description
CMPD-39 is a selective non-covalent inhibitor of the ubiquitin-specific protease USP30 (IC50=~20 nM), with high selectivity over other DUB family members (1-100 μM) . CMPD-39 inhibits the deubiquitinating activity of USP30, enhances the ubiquitination of mitochondrial proteins TOMM20 and SYNJ2BP; thus, CMPD-39 promotes phosphoubuitin accumulation, thereby accelerating mitochondrial autophagy (mitophagy) and peroxisomal autophagy (pexophagy) . CMPD-39 significantly restores impaired mitochondrial function in dopaminergic neurons derived from Parkinson's disease patients[1][2].
CAS Number
2242582-40-5
UNSPSC
12352005
Target
Deubiquitinase; Mitophagy
Type
Reference compound
Related Pathways
Autophagy; Cell Cycle/DNA Damage
Applications
Cancer-programmed cell death
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/usp30-inhibitor-18.html
Purity
99.74
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
CC(C)(C)NS(=O)(C1=CC=C(C=C1)NC([C@@H](NC(C2=CC=C(C=C2)F)=O)CC3=CC=CC=C3)=O)=O
Molecular Formula
C26H28FN3O4S
Molecular Weight
497.58
References & Citations
[1]Arthur F Kluge, et al. Novel highly selective inhibitors of ubiquitin specific protease 30 (USP30) accelerate mitophagy. Bioorg Med Chem Lett. 2018 Aug 15;28 (15) :2655-2659.|[2]Rusilowicz-Jones EV, et al. Benchmarking a highly selective USP30 inhibitor for enhancement of mitophagy and pexophagy. Life Sci Alliance. 2021;5 (2) :e202101287.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
USP30

Chemical Information

USP30 inhibitor 18
CAS Number2242582-40-5
PubChem CID142474792
IUPAC NameN-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-phenylpropan-2-yl]-4-fluorobenzamide
Molecular FormulaC26H28FN3O4S
Molecular Weight497.6
XLogP4.1
Topological Polar Surface Area113
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count35
Formal Charge0
Complexity801
SMILES
CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C26H28FN3O4S/c1-26(2,3)30-35(33,34)22-15-13-21(14-16-22)28-25(32)23(17-18-7-5-4-6-8-18)29-24(31)19-9-11-20(27)12-10-19/h4-16,23,30H,17H2,1-3H3,(H,28,32)(H,29,31)/t23-/m0/s1
InChIKey
NRHPFMQPXSSELC-QHCPKHFHSA-N
Chemical Structure
2D Structure
2D structure of USP30 inhibitor 18
CAS: 2242582-40-5
CID: 142474792
Formula: C26H28FN3O4S
MW: 497.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight497.6
XLogP34.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass497.17845572
Monoisotopic Mass497.17845572
Topological Polar Surface Area113 Ų
Heavy Atom Count35
Formal Charge0
Complexity801
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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