AR234960 - Moligand™ , Agonist of MAS1, CAS No.A607702, Agonist of MAS1

CAS: A607702 Cat. No.: A607702 PubChem CID: 89560738

GRADE & PURITY Moligand™

Synonyms

AR 234960;AR-234960

Storage

Room temperature

Specifications

Synonyms

AR 234960;AR-234960

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of MAS1

Names and Identifiers

• Canonical Smiles: COc1cc(ccc1S(=O)(=O)N1CC(C(C1)c1cccc(c1)F)CN1CCN(CC1)c1ccccn1)[N+](=O)[O-]
• IUPAC Name: 1-[[4-(3-fluorophenyl)-1-(2-methoxy-4-nitrophenyl)sulfonylpyrrolidin-3-yl]methyl]-4-pyridin-2-ylpiperazine
• InChIKey: TUSCHIFEASZBBF-UHFFFAOYSA-N
• INCHI: 1S/C27H30FN5O5S/c1-38-25-16-23(33(34)35)8-9-26(25)39(36,37)32-18-21(24(19-32)20-5-4-6-22(28)15-20)17-30-11-13-31(14-12-30)27-7-2-3-10-29-27/h2-10,15-16,21,24H,11-14,17-19H2,1H3
• Isomeric SMILES: COC1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)N2CC(C(C2)C3=CC(=CC=C3)F)CN4CCN(CC4)C5=CC=CC=N5
• PubChem CID: 89560738

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinylpiperazines
• Alternative Parents: N-arylpiperazines Phenylpyrrolidines Nitrophenyl ethers Benzenesulfonamides Benzenesulfonyl compounds Methoxyanilines Anisoles Dialkylarylamines Phenoxy compounds Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Aminopyridines and derivatives Aralkylamines Fluorobenzenes N-alkylpiperazines Organosulfonamides Imidolactams Aryl fluorides Heteroaromatic compounds Pyrroles Sulfonyls Trialkylamines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organofluorides Hydrocarbon derivatives Organic salts Organic oxides Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-arylpiperazine - Pyridinylpiperazine - Nitrophenyl ether - 3-phenylpyrrolidine - Benzenesulfonamide - Benzenesulfonyl group - Nitrobenzene - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Dialkylarylamine - Aralkylamine - Halobenzene - Fluorobenzene - Aminopyridine - N-alkylpiperazine - Alkyl aryl ether - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Pyridine - Organosulfonic acid amide - Benzenoid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrolidine - Pyrrole - Sulfonyl - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Azacycle - Organic oxoazanium - Amine - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organosulfur compound - Organic oxide - Organic salt - Organic cation - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring.
• 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)

MAS1 Tchem Proto-oncogene Mas (0 Activities)

Discover Target: MAS1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)