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

CAS: 165682-93-9 Cat. No.: O286975 Formule: C₁₂H₁₁ClN₂O₂S Poids moléculaire: 282.75 Numéro CE: 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

Synonymes

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

Spécifications et pureté

≥98%(HPLC)

Mécanismes biochimiques et physiologiques

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.

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%(HPLC)

Noms et identifiants

• Pubchem Sid: 504771246
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771246
• Sourires canoniques: 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)
• Isomères SMILES: CCOC(=O)C1=CSC(=N1)NC2=CC=C(C=C2)Cl
• Poids moléculaire: 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
    • Classe Azoles
      • Subclass Thiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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

Cibles associées (humaines)

HEK293 (82097 Activities)

Explore this target

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solvent:DMSO, Max Conc. mg/mL: 28.27, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 14.14, Max Conc. mM: 50
• Poids moléculaire: 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

Foire aux questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 165682-93-9, the molecular formula is C12H11ClN2O2S, and the molecular weight is 282.75 g/mol. InChIKey ULUBAPWNHROTEU-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.