STD1T - Moligand™,≥98% , CAS No.893075-58-6

CAS: 893075-58-6 Cat. No.: S646747 Molecular Weight: 417.50 PubChem CID: 17254167

GRADE & PURITY Moligand™, ≥98%

Synonyms

2-(2-((5-(Thiophen-2-yl)isoxazol-3-yl)methoxy)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

STD1T is a deubiquitinase USP2a inhibitor with an IC 50 of 3.3 μM in Ub-AMC Assay.

In Vitro

STD1T inhibits USP2a enzymatic activity in a concentration dependent manner. STD1T shows selective inhibition of USP2a vs. USP7 at the concentrations of 10 µM and 2000 µM, respectively. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

Synonyms

2-(2-((5-(Thiophen-2-yl)isoxazol-3-yl)methoxy)acetamido)-4, 5, 6, 7-tetrahydrobenzo[b]thiophene-3-carboxamide

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

STD1T is a deubiquitinase USP2a inhibitor with an IC 50 of 3.3 μM in Ub-AMC Assay.

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.

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1CCC2=C(C1)C(=C(S2)NC(=O)COCC3=NOC(=C3)C4=CC=CS4)C(=O)N
• IUPAC Name: 2-[[2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
• InChIKey: NRPUXFKWYPJDFT-UHFFFAOYSA-N
• INCHI: 1S/C19H19N3O4S2/c20-18(24)17-12-4-1-2-5-14(12)28-19(17)21-16(23)10-25-9-11-8-13(26-22-11)15-6-3-7-27-15/h3,6-8H,1-2,4-5,9-10H2,(H2,20,24)(H,21,23)
• Isomeric SMILES: C1CCC2=C(C1)C(=C(S2)NC(=O)COCC3=NOC(=C3)C4=CC=CS4)C(=O)N
• PubChem CID: 17254167
• Molecular Weight: 417.50

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Thiophenes
      • Subclass Thiophene carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Thiophenes
• Subclass: Thiophene carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiophene carboxamides
• Alternative Parents: N-arylamides Vinylogous amides Isoxazoles Heteroaromatic compounds Secondary carboxylic acid amides Primary carboxylic acid amides Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Thiophene carboxamide - N-arylamide - Azole - Isoxazole - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Primary carboxylic acid amide - Secondary carboxylic acid amide - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organic oxide - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as thiophene carboxamides. These are compounds containing a thiophene ring which bears a carboxamide.
• 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)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : 62.5 mg/mL (149.70 mM; Need ultrasonic)
• Sensitivity: Light sensitive
• Molecular Weight: 417.500 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 417.082 Da
• Monoisotopic Mass: 417.082 Da
• Topological Polar Surface Area: 164.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 581.000
• 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