HSD Inhibitor 23 , CAS No.868604-75-5

CAS: 868604-75-5 Cat. No.: H334444 Molecular Weight: 466.5

Synonyms

QTLNSFMROWVHJU-UHFFFAOYSA-N | N-[(E)-5-hydroxy-2-adamantyl]-2-methyl-2-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}propanamide | SCHEMBL233462 | N-(5-Hydroxytricyclo[3.3.1.13,7]dec-2-yl)-alpha,alpha-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]-1-pi

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

HSD Inhibitor 23 is a selective, potent and cell permeable small molecule inhibitor of 11-β-hydroxysteroid dehydrogenase.

Specifications

Synonyms

QTLNSFMROWVHJU-UHFFFAOYSA-N | N-[(E)-5-hydroxy-2-adamantyl]-2-methyl-2-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}propanamide | SCHEMBL233462 | N-(5-Hydroxytricyclo[3.3.1.13, 7]dec-2-yl)-alpha, alpha-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]-1-pi

Storage

Protected from light, 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: CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)O)N4CCN(CC4)C5=NC=C(C=C5)C(F)(F)F
• IUPAC Name: N-(5-hydroxy-2-adamantyl)-2-methyl-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propanamide
• InChIKey: QTLNSFMROWVHJU-UHFFFAOYSA-N
• INCHI: 1S/C24H33F3N4O2/c1-22(2,21(32)29-20-16-9-15-10-17(20)13-23(33,11-15)12-16)31-7-5-30(6-8-31)19-4-3-18(14-28-19)24(25,26)27/h3-4,14-17,20,33H,5-13H2,1-2H3,(H,29,32)
• Isomeric SMILES: CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)O)N4CCN(CC4)C5=NC=C(C=C5)C(F)(F)F
• Molecular Weight: 466.5
• Reaxy-Rn: 19166832
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19166832&ln=

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: Alpha amino acid amides N-arylpiperazines N-piperazineacetamides Dialkylarylamines Aminopyridines and derivatives N-alkylpiperazines Imidolactams Tertiary alcohols Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Cyclic alcohols and derivatives Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides Organopnictogen compounds Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid amide - N-arylpiperazine - Pyridinylpiperazine - Alpha-amino acid or derivatives - N-piperazineacetamide - Dialkylarylamine - Aminopyridine - N-alkylpiperazine - Pyridine - Imidolactam - Cyclic alcohol - Heteroaromatic compound - Tertiary alcohol - Amino acid or derivatives - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Tertiary aliphatic amine - Azacycle - Carboxylic acid derivative - Alcohol - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic 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(non-human)

Hsd11b1 11-beta-hydroxysteroid dehydrogenase 1 (202 Activities)

Discover Target: Hsd11b1

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

Hsd11b2 11-beta-hydroxysteroid dehydrogenase 2 (82 Activities)

Discover Target: Hsd11b2

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in DMSO.