JTT 551 - ≥99% , CAS No.776309-04-7

CAS: 776309-04-7 Cat. No.: J649300 Peso molecular: 605.85 PubChem CID: 23080446

GRADE & PURITY ≥99%

Synonyms

2-(((5-(tert-Butyl)thiazol-2-yl)methyl)((4-(4-((4-(heptan-4-yl)phenoxy)methyl)phenyl)thiazol-2-yl)methyl)amino)acetic acid | GLYCINE, N-((5-(1,1-DIMETHYLETHYL)-2-THIAZOLYL)METHYL)-N-((4-(4-((4-(1-PROPYLBUTYL)PHENOXY)METHYL)PHENYL)-2-THIAZOLYL)METHYL)- | H

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Descripción general

JTT 551 is selective a protein tyrosine phosphatase 1B ( PTP1B ) inhibitor, with K i s of 0.22 μM and 9.3 μM for PTP1B and TCPTP (T-cell protein tyrosine phosphatase), respectively; JTT 551 can be used in the research of type 2 diabetes mellitus.

In Vitro

JTT 551 is selective a protein tyrosine phosphatase 1B (PTP1B) inhibitor, with K i s of 0.22 μM and 9.3 μM for PTP1B and TCPTP (T-cell protein tyrosine phosphatase), respectively. JTT 551 shows low affinity at CD45 PTP (CD45) and leucocyte common antigen-related (LAR) PTP with K i s of both >30 μM. Furthermore, JTT-551 (10 and 30 μM) enhances the insulin-induced deoxyglucose uptake in a dosedependent manner. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

JTT 551 (3 mg/kg, 30 mg/kg, p.o.) dose-dependently decreases blood glucose level on Days 7, 14 and 28 in db/db Mice. JTT 551 also significantly reduces triglyceride (TG) level at 30 mg/kg on Day 7 but does not alter insulin and total cholesterol (TC) levels . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:IC50: 0.22 μM (PTP1B), 9.3 μM (TCPTP)

Specifications

Sinónimos

2-(((5-(tert-Butyl)thiazol-2-yl)methyl)((4-(4-((4-(heptan-4-yl)phenoxy)methyl)phenyl)thiazol-2-yl)methyl)amino)acetic acid | GLYCINE, N-((5-(1, 1-DIMETHYLETHYL)-2-THIAZOLYL)METHYL)-N-((4-(4-((4-(1-PROPYLBUTYL)PHENOXY)METHYL)PHENYL)-2-THIAZOLYL)METHYL)- | H

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

JTT 551 is selective a protein tyrosine phosphatase 1B ( PTP1B ) inhibitor, with K i s of 0.22 μM and 9.3 μM for PTP1B and TCPTP (T-cell protein tyrosine phosphatase), respectively; JTT 551 can be used in the research of type 2 diabetes mellitus.

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Desiccated

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: CCCC(CCC)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C3=CSC(=N3)CN(CC4=NC=C(S4)C(C)(C)C)CC(=O)O
• IUPAC Name: 2-[(5-tert-butyl-1,3-thiazol-2-yl)methyl-[[4-[4-[(4-heptan-4-ylphenoxy)methyl]phenyl]-1,3-thiazol-2-yl]methyl]amino]acetic acid
• InChIKey: FKGBFRNVTCFMGU-UHFFFAOYSA-N
• INCHI: 1S/C34H43N3O3S2/c1-6-8-25(9-7-2)26-14-16-28(17-15-26)40-22-24-10-12-27(13-11-24)29-23-41-32(36-29)20-37(21-33(38)39)19-31-35-18-30(42-31)34(3,4)5/h10-18,23,25H,6-9,19-22H2,1-5H3,(H,38,39)
• Isómeros SMILES: CCCC(CCC)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C3=CSC(=N3)CN(CC4=NC=C(S4)C(C)(C)C)CC(=O)O
• CAS alternativo: 776309-04-7
• PubChem CID: 23080446
• Términos de entrada MeSH: (((5-(1,1-dimethylethyl)thiazol-2-yl)methyl)(((4-(4-(4-(1-propylbutyl)phenoxy)methyl)phenyl)thiazol-2-yl)methyl)amino)acetic acid;JTT 551;JTT-551;JTT551;monosodium (((5-(1,1-dimethylethyl)thiazol-2-yl)methyl)(((4-(4-(4-(1-propylbutyl)phenoxy)methyl)phenyl
• Peso molecular: 605.85

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acids
• Alternative Parents: Phenoxy compounds Phenol ethers Aralkylamines Alkyl aryl ethers 2,5-disubstituted thiazoles 2,4-disubstituted thiazoles Heteroaromatic compounds Trialkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-amino acid - Phenoxy compound - Phenol ether - 2,4-disubstituted 1,3-thiazole - 2,5-disubstituted 1,3-thiazole - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiazole - Azole - Amino acid - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
• 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

Objetivos asociados (humanos)

PTPN1 Tchem Tyrosine-protein phosphatase non-receptor type 1 (2 Activities)

Discover Target: PTPN1

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO : 100 mg/mL (165.06 mM; Need ultrasonic)
• Peso molecular: 605.900 g/mol
• XLogP3: 6.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 16
• Exact Mass: 605.275 Da
• Monoisotopic Mass: 605.275 Da
• Topological Polar Surface Area: 132.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 789.000
• 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