cyt-PTPε Inhibitor-1 - Moligand™, ≥98% , CAS No.428478-94-8

CAS: 428478-94-8 Cat. No.: C646256 Molecular Weight: 368.45 PubChem CID: 1418650

GRADE & PURITY Moligand™, ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

cyt-PTPε Inhibitor-1 is a potent cytosolic protein tyrosine phosphatase epsilon (cyt-PTPε) inhibitor, binds to the catalytic domain of cyt-PTPε, blocks c-Src activation (dephosphorylation of c-Src), and exhibits anti-osteoclastic activity.

Specifications

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

cyt-PTPε Inhibitor-1 is a potent cytosolic protein tyrosine phosphatase epsilon ( cyt-PTPε ) inhibitor, binds to the catalytic domain of cyt-PTPε, blocks c-Src activation (dephosphorylation of c-Src), and exhibits anti-osteoclastic activity.

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™

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504760488
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760488
• Canonical Smiles: CC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)COC3=C(C=C(C=C3)C)C
• IUPAC Name: 1-[5-[(2,4-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)urea
• InChIKey: QUSAMXSWOZSTRQ-UHFFFAOYSA-N
• INCHI: 1S/C19H20N4O2S/c1-12-4-7-15(8-5-12)20-18(24)21-19-23-22-17(26-19)11-25-16-9-6-13(2)10-14(16)3/h4-10H,11H2,1-3H3,(H2,20,21,23,24)
• Isomeric SMILES: CC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)COC3=C(C=C(C=C3)C)C
• PubChem CID: 1418650
• Molecular Weight: 368.45

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass N-phenylureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: N-phenylureas
• Intermediate Tree Nodes: Not available
• Direct Parent: N-phenylureas
• Alternative Parents: 1,3,4-thiadiazol-2-ylureas m-Xylenes Phenoxy compounds Phenol ethers Toluenes Alkyl aryl ethers Heteroaromatic compounds Ureas Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-phenylurea - 1,3,4-thiadiazol-2-ylurea - Phenoxy compound - Phenol ether - M-xylene - Xylene - Alkyl aryl ether - Toluene - Azole - Thiadiazole - Heteroaromatic compound - Carbonic acid derivative - Urea - Azacycle - Ether - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea 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)

Monocyte (474 Activities)

Explore this target

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

PTPRE Tbio Receptor-type tyrosine-protein phosphatase epsilon (68 Activities)

Discover Target: PTPRE

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO: 9 mg/mL (24.43 mM)
• Molecular Weight: 368.500 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 368.131 Da
• Monoisotopic Mass: 368.131 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 459.000
• 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