Azoramide - Moligand™, ≥98% , CAS No.932986-18-0

CAS: 932986-18-0 Cat. No.: A195910 Formule: C₁₅H₁₇ClN₂OS Poids moléculaire: 308.83

GRADE & PURITY Moligand™, ≥98%

Synonyms

CCG-267569 | BRD-K67416388-001-01-3 | N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]butanamide | SCHEMBL21523880 | Azoramide, >=98% (HPLC) | NCGC00484058-03 | s8304 | BCP23896 | NCGC00484058-01 | N-{2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl}butanamid

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

CCG-267569 | BRD-K67416388-001-01-3 | N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]butanamide | SCHEMBL21523880 | Azoramide, >=98% (HPLC) | NCGC00484058-03 | s8304 | BCP23896 | NCGC00484058-01 | N-{2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl}butanamid

Spécifications et pureté

Moligand™, ≥98%

Mécanismes biochimiques et physiologiques

Modulator of unfolded protein response (UPR). Protects cells from ER stress by improving ER protein folding and activating ER chaperone capacity. Also improves ER calcium retention. Improves liver ER function, glucose homeostasis and glucose-stimulated in

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

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

Grade

Moligand™

Pureté

≥98%

Noms et identifiants

Pubchem Sid

508810805

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508810805

Sourires canoniques

CCCC(=O)NCCC1=CSC(=N1)C2=CC=C(C=C2)Cl

IUPAC Name

N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]butanamide

InChIKey

VYBFWKKCWTXCQX-UHFFFAOYSA-N

INCHI

1S/C15H17ClN2OS/c1-2-3-14(19)17-9-8-13-10-20-15(18-13)11-4-6-12(16)7-5-11/h4-7,10H,2-3,8-9H2,1H3,(H,17,19)

Isomères SMILES

CCCC(=O)NCCC1=CSC(=N1)C2=CC=C(C=C2)Cl

Poids moléculaire

308.83

Reaxy-Rn

34161097

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=34161097&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: 2,4-disubstituted thiazoles
• Alternative Parents: Chlorobenzenes N-acyl amines Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4-disubstituted 1,3-thiazole - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Fatty amide - N-acyl-amine - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - 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 2,4-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at the positions 2 and 3.
• 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

Propriétés chimiques et physiques

• Solubilité: Solvent:DMSO, Max Conc. mg/mL: 30.88, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 30.88, Max Conc. mM: 100
• Poids moléculaire: 308.800 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 308.075 Da
• Monoisotopic Mass: 308.075 Da
• Topological Polar Surface Area: 70.200 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 308.000
• 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