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

CAS: 165682-93-9 Cat. No.: O286975 Molecular Weight: 282.75 EC Number: 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

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

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

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

Oct3/4 inducer; promotesOct3/4expression and stabilizes the Oct3/4 protein in HEK293 cells. Induces expression of pluripotent-associated genesLin28, Sox2andNanog, and suppressesRex1. Induces 15-fold increase inOct3/4expression in human primary fibroblasts.

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%(HPLC)

Names and Identifiers

• Pubchem Sid: 504771246
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771246
• Canonical Smiles: 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)
• Isomeric SMILES: CCOC(=O)C1=CSC(=N1)NC2=CC=C(C=C2)Cl
• Molecular Weight: 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
    • Class Azoles
      • Subclass Thiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Associated Targets(Human)

HEK293 (82097 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: Solvent:DMSO, Max Conc. mg/mL: 28.27, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 14.14, Max Conc. mM: 50
• Molecular Weight: 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