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USP30-IN-1

CAT: 0804-HY-161909Size: 1 EachDry Ice: NoHazardous: No
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Description
USP30-IN-1 is a selective inhibitor of USP30 with an IC50 value of 94 nM. USP30-IN-1 can be used in the research of diseases with impaired mitophagy by targeting USP30[1].
CAS Number
2511541-78-7
UNSPSC
12352005
Target
Deubiquitinase
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease; Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/usp30-i-1.html
Smiles
N#CC1=CC=CC(C2=CN=C(C(N[C@@H]3C[C@@H](C)N(C#N)C3)=O)O2)=C1
Molecular Formula
C17H15N5O2
Molecular Weight
321.33
References & Citations
[1]O'Brien D P, et al. Structural Dynamics of the Ubiquitin Specific Protease USP30 in Complex with a Cyanopyrrolidine-Containing Covalent Inhibitor[J]. bioRxiv, 2024: 2024.07. 20.604388.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N-[(3R,5R)-1-cyano-5-methylpyrrolidin-3-yl]-5-(3-cyanophenyl)-1,3-oxazole-2-carboxamide
CAS Number2511541-78-7
PubChem CID155212343
IUPAC NameN-[(3R,5R)-1-cyano-5-methylpyrrolidin-3-yl]-5-(3-cyanophenyl)-1,3-oxazole-2-carboxamide
Molecular FormulaC17H15N5O2
Molecular Weight321.33
XLogP2.3
Topological Polar Surface Area106
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity576
SMILES
C[C@@H]1C[C@H](CN1C#N)NC(=O)C2=NC=C(O2)C3=CC=CC(=C3)C#N
InChI
InChI=1S/C17H15N5O2/c1-11-5-14(9-22(11)10-19)21-16(23)17-20-8-15(24-17)13-4-2-3-12(6-13)7-18/h2-4,6,8,11,14H,5,9H2,1H3,(H,21,23)/t11-,14-/m1/s1
InChIKey
RNFCDLMNQAEONR-BXUZGUMPSA-N
Chemical Structure
2D Structure
2D structure of N-[(3R,5R)-1-cyano-5-methylpyrrolidin-3-yl]-5-(3-cyanophenyl)-1,3-oxazole-2-carboxamide
CAS: 2511541-78-7
CID: 155212343
Formula: C17H15N5O2
MW: 321.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight321.33
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass321.12257474
Monoisotopic Mass321.12257474
Topological Polar Surface Area106 Ų
Heavy Atom Count24
Formal Charge0
Complexity576
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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