O4I2 - ≥98%(HPLC) , CAS No.165682-93-9

CAS: 165682-93-9 Cat. No.: O286975 Peso molecular: 282.75 Número EC: 870-593-6

GRADE & PURITY ≥98%(HPLC)

Synonyms

BP-12618 | 4-Thiazolecarboxylic acid, 2-[(4-chlorophenyl)amino]-, ethyl ester | CCG-267272 | O4I2, >=98% (HPLC) | DTXSID30699845 | Z48861423 | s7944 | MS-11170 | ETHYL 2-(4-CHLOROPHENYLAMINO)-4-THIAZOLECARBOXYLATE | 2-(4-Chloro-phenylamino)-thiazole-4-car

Storage

Conservar a -20°C

Shipped In

Hielera + almohadillas de hielo

Specifications

Sinónimos

BP-12618 | 4-Thiazolecarboxylic acid, 2-[(4-chlorophenyl)amino]-, ethyl ester | CCG-267272 | O4I2, >=98% (HPLC) | DTXSID30699845 | Z48861423 | s7944 | MS-11170 | ETHYL 2-(4-CHLOROPHENYLAMINO)-4-THIAZOLECARBOXYLATE | 2-(4-Chloro-phenylamino)-thiazole-4-car

Especificaciones y pureza

≥98%(HPLC)

Mecanismos bioquímicos y fisiológicos

Inductor de Oct3/4; promueve la expresión de Oct3/4 y estabiliza la proteína Oct3/4 en células HEK293. Induce la expresión de los genes asociados a pluripotenciaLin28, Sox2yNanog, y suprimeRex1. Incrementa 15 veces la expresión de Oct3/4 en fibroblastos pr

Condiciones de almacenamiento de almacenamiento

Conservar a -20°C

Enviado en

Hielera + almohadillas de hielo

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504771246
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771246
• Sonrisas canónicas: CCOC(=O)C1=CSC(=N1)NC2=CC=C(C=C2)Cl
• IUPAC Name: ethyl 2-(4-chloroanilino)-1,3-thiazole-4-carboxylate
• InChIKey: ULUBAPWNHROTEU-UHFFFAOYSA-N
• INCHI: 1S/C12H11ClN2O2S/c1-2-17-11(16)10-7-18-12(15-10)14-9-5-3-8(13)4-6-9/h3-7H,2H2,1H3,(H,14,15)
• Isómeros SMILES: CCOC(=O)C1=CSC(=N1)NC2=CC=C(C=C2)Cl
• Peso molecular: 282.75
• Reaxy-Rn: 14495118
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14495118&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Thiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiazolecarboxylic acids and derivatives
• Alternative Parents: Aniline and substituted anilines Chlorobenzenes 2,4-disubstituted thiazoles Aryl chlorides 2-amino-1,3-thiazoles Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aniline or substituted anilines - Thiazolecarboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,3-thiazol-2-amine - Benzenoid - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organooxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as thiazolecarboxylic acids and derivatives. These are heterocyclic compounds containing a thiazole ring which bears a carboxylic acid group (or a derivative thereof).
• 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)

HEK293 (82097 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 28.27, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 14.14, Max Conc. mM: 50
• Peso molecular: 282.750 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 282.023 Da
• Monoisotopic Mass: 282.023 Da
• Topological Polar Surface Area: 79.500 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 285.000
• 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