USP7/USP47 inhibitor - ≥98% , CAS No.1247825-37-1

CAS: 1247825-37-1 Cat. No.: U651077 Molecular Weight: 484.4 PubChem CID: 51031028

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

USP7/USP47 inhibitor is a selective ubiquitin-specific protease 7/47 (USP7/USP47) inhibitor, with EC 50 s of 0.42 μM and 1.0 μM, respectively.

In Vitro

USP7/USP47 inhibitor (compound 14) is a selective inhibitor of USP7/USP47 with EC 50 s of 0.42 μM and 1 μM, respectively. USP7/USP47 inhibitor does not inhibit caspase 3, calpain 1, 20S proteasome, and a panel of representative USPs (USP2, USP5, USP8, USP21, and USP28; EC 50 > 31.6 μM). USP7/USP47 inhibitor inhibits the growth of HCT-116 cells with an EC 50 of 7.6 μM. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:EC50: 0.42 μM (USP7), 1.0 μM (USP47)

Specifications

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

USP7/USP47 inhibitor is a selective ubiquitin-specific protease 7/47 (USP7/USP47) inhibitor, with EC 50 s of 0.42 μM and 1.0 μM, respectively.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(S2)SC3=C(C=NC=C3Cl)Cl)C#N
• IUPAC Name: 4-cyano-5-(3,5-dichloropyridin-4-yl)sulfanyl-N-(4-methylsulfonylphenyl)thiophene-2-carboxamide
• InChIKey: GUDJFFQZIISQJB-UHFFFAOYSA-N
• INCHI: 1S/C18H11Cl2N3O3S3/c1-29(25,26)12-4-2-11(3-5-12)23-17(24)15-6-10(7-21)18(27-15)28-16-13(19)8-22-9-14(16)20/h2-6,8-9H,1H3,(H,23,24)
• Isomeric SMILES: CS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(S2)SC3=C(C=NC=C3Cl)Cl)C#N
• PubChem CID: 51031028
• Molecular Weight: 484.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic anilides
• Alternative Parents: Diarylthioethers Benzenesulfonyl compounds 2,3,5-trisubstituted thiophenes 2-heteroaryl carboxamides Thiophene carboxamides Polyhalopyridines Aryl chlorides Heteroaromatic compounds Sulfones Secondary carboxylic acid amides Nitriles Azacyclic compounds Sulfenyl compounds Organochlorides Organic oxides Hydrocarbon derivatives Organooxygen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aromatic anilide - Diarylthioether - Benzenesulfonyl group - 2-heteroaryl carboxamide - Thiophene carboxylic acid or derivatives - Aryl thioether - Thiophene carboxamide - 2,3,5-trisubstituted thiophene - Polyhalopyridine - Aryl chloride - Aryl halide - Pyridine - Sulfonyl - Thiophene - Sulfone - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Sulfenyl compound - Thioether - Organoheterocyclic compound - Azacycle - Carbonitrile - Carboxylic acid derivative - Nitrile - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

USP7 Tchem Ubiquitin carboxyl-terminal hydrolase 7 (1 Activities)

Discover Target: USP7

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

USP47 Tchem Ubiquitin carboxyl-terminal hydrolase 47 (1 Activities)

Discover Target: USP47

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CASP3 Tchem Caspase-3 (3632 Activities)

Discover Target: CASP3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HCT-116 (91556 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

USP5 Tchem Ubiquitin carboxyl-terminal hydrolase 5 (172 Activities)

Discover Target: USP5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

USP2 Tbio Ubiquitin carboxyl-terminal hydrolase 2 (8818 Activities)

Discover Target: USP2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

USP7 Tchem Ubiquitin carboxyl-terminal hydrolase 7 (837 Activities)

Discover Target: USP7

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

USP47 Tchem Ubiquitin carboxyl-terminal hydrolase 47 (99 Activities)

Discover Target: USP47

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

USP21 Tbio Ubiquitin carboxyl-terminal hydrolase 21 (108 Activities)

Discover Target: USP21

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

USP28 Tchem Ubiquitin carboxyl-terminal hydrolase 28 (268 Activities)

Discover Target: USP28

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

CAPN1 Calpain 1 (219 Activities)

Discover Target: CAPN1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasma (328 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : 50 mg/mL (103.22 mM; Need ultrasonic)
• Molecular Weight: 484.400 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 482.934 Da
• Monoisotopic Mass: 482.934 Da
• Topological Polar Surface Area: 162.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 736.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1