SR-1903 , CAS No.1414248-06-8

CAS: 1414248-06-8 Cat. No.: S1427297 PubChem CID: 71470724

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Overview

SR-1903 is an inverse agonist of RORγ and PPARγ ( IC 50 of ∼100 nM and 209 nM for RORγ and PPARγ , respectively) and a LXR agonist. SR-1903 exhibits anti-inflammatory and anti-diabetic efficacy in collagen-induced arthritis and diet-induced obesity mouse models.

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.

Names and Identifiers

• Canonical Smiles: CC1=C(C=CC(=C1)CN2CCN(CC2)CC3=CC=NC=C3)C4=CC=C(C=C4)C(C(F)(F)F)(C(F)(F)F)O
• IUPAC Name: 1,1,1,3,3,3-hexafluoro-2-[4-[2-methyl-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol
• InChIKey: HSUQYJQLSYQEOB-UHFFFAOYSA-N
• INCHI: 1S/C27H27F6N3O/c1-19-16-21(18-36-14-12-35(13-15-36)17-20-8-10-34-11-9-20)2-7-24(19)22-3-5-23(6-4-22)25(37,26(28,29)30)27(31,32)33/h2-11,16,37H,12-15,17-18H2,1H3
• Isomeric SMILES: CC1=C(C=CC(=C1)CN2CCN(CC2)CC3=CC=NC=C3)C4=CC=C(C=C4)C(C(F)(F)F)(C(F)(F)F)O
• PubChem CID: 71470724

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Phenylmethylamines Benzylamines Toluenes N-alkylpiperazines Aralkylamines Pyridines and derivatives Tertiary alcohols Heteroaromatic compounds Trialkylamines Fluorohydrins Azacyclic compounds Organofluorides Hydrocarbon derivatives Aromatic alcohols Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Biphenyl - Benzylamine - Phenylmethylamine - Toluene - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - Piperazine - Pyridine - Heteroaromatic compound - Tertiary alcohol - Tertiary aliphatic amine - Tertiary amine - Fluorohydrin - Halohydrin - Organoheterocyclic compound - Azacycle - Alkyl halide - Organonitrogen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic alcohol - Alkyl fluoride - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C 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