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P005091

CAT: 0804-HY-15667-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-15667-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
P005091 is a selective and potent inhibitor of ubiquitin-specific protease 7 (USP7) with an EC50 of 4.2 μM.
CAS Number
882257-11-6
Product Name Alternative
P5091
UNSPSC
12352005
Hazard Statement
H301, H413
Target
Deubiquitinase
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/P005091.html
Purity
99.92
Solubility
DMSO : 25 mg/mL (ultrasonic)
Smiles
CC(C1=CC([N+]([O-])=O)=C(SC2=CC=CC(Cl)=C2Cl)S1)=O
Molecular Formula
C12H7Cl2NO3S2
Molecular Weight
348.22
Precautions
H301, H413
References & Citations
[1]Chauhan D, et al. A small molecule inhibitor of ubiquitin-specific protease-7 induces apoptosis in multiple myeloma cells and overcomes bortezomib resistance. Cancer Cell. 2012 Sep 11;22 (3) :345-58.
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

P5091

inhibits ubiquitin-specific protease 7; structure in first source

CAS Number882257-11-6
PubChem CID2819993
IUPAC Name1-[5-(2,3-dichlorophenyl)sulfanyl-4-nitrothiophen-2-yl]ethanone
Molecular FormulaC12H7Cl2NO3S2
Molecular Weight348.2
XLogP5.1
Topological Polar Surface Area116
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity393
SMILES
CC(=O)C1=CC(=C(S1)SC2=C(C(=CC=C2)Cl)Cl)[N+](=O)[O-]
InChI
InChI=1S/C12H7Cl2NO3S2/c1-6(16)10-5-8(15(17)18)12(20-10)19-9-4-2-3-7(13)11(9)14/h2-5H,1H3
InChIKey
LKZLGMAAKNEGCH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of P5091
CAS: 882257-11-6
CID: 2819993
Formula: C12H7Cl2NO3S2
MW: 348.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight348.2
XLogP35.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass346.9244408
Monoisotopic Mass346.9244408
Topological Polar Surface Area116 Ų
Heavy Atom Count20
Formal Charge0
Complexity393
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

Alternative Products

CatalogName
406577P005091
MBS579450P5091 (P005091)
A13277-5P005091 5mg
A13277-100P005091 100mg
A13277-50P005091 50mg
A13277-10P005091 10mg
A13277-25P005091 25mg
A13277-2P005091 2mg
A13277-10mM-DP005091 10mM * 1mL in DMSO
145684P005091 (USP7 Inhibitor, 1-[5-[ (2,3-Dichlorophenyl) thio]-4-n itro-2-thienyl]ethanone) discontinued

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