AZ-GHS-22 , CAS No.1143020-91-0

CAS: 1143020-91-0 Cat. No.: A1431419 PubChem CID: 57422817

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

AZ-GHS-22 is a potent, non-CNS penetrant GHS-R1a inverse agonist ( IC 50 =0.77 nM).

Specifications

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.

Action Type

ANTAGONIST

Names and Identifiers

• Canonical Smiles: CN1CCN(CC1)CCCS(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NC(=O)C4=C(C=CC(=C4)N5CCOCC5)Cl
• IUPAC Name: 2-chloro-N-[[6-[3-(4-methylpiperazin-1-yl)propylsulfonyl]-1,3-benzothiazol-2-yl]carbamoyl]-5-morpholin-4-ylbenzamide
• InChIKey: XWFQFKFKWKWIEW-UHFFFAOYSA-N
• INCHI: 1S/C27H33ClN6O5S2/c1-32-8-10-33(11-9-32)7-2-16-41(37,38)20-4-6-23-24(18-20)40-27(29-23)31-26(36)30-25(35)21-17-19(3-5-22(21)28)34-12-14-39-15-13-34/h3-6,17-18H,2,7-16H2,1H3,(H2,29,30,31,35,36)
• Isomeric SMILES: CN1CCN(CC1)CCCS(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NC(=O)C4=C(C=CC(=C4)N5CCOCC5)Cl
• PubChem CID: 57422817

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmorpholines
• Alternative Parents: 2-halobenzoic acids and derivatives Aminobenzamides Benzothiazoles Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines Chlorobenzenes N-methylpiperazines Aryl chlorides Vinylogous halides Thiazoles Sulfones Heteroaromatic compounds Ureas Amino acids and derivatives Trialkylamines Dialkyl ethers Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Carbonyl compounds Organochlorides Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylmorpholine - Aminobenzamide - Aminobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - 1,3-benzothiazole - Benzoyl - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Chlorobenzene - Halobenzene - N-methylpiperazine - N-alkylpiperazine - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Vinylogous halide - Azole - Thiazole - Heteroaromatic compound - Sulfone - Sulfonyl - Urea - Carbonic acid derivative - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Organooxygen compound - Organosulfur compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.
• 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