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

CAS: 868604-75-5 Cat. No.: H334444 Formule: C₂₄H₃₃F₃N₄O₂ Poids moléculaire: 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

Vue d’ensemble

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

Specifications

Synonymes

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

Conditions de stockage de stockage

Protected from light,Store at -20°C

Expédié en

Ice chest + Ice pads

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

Noms et identifiants

Sourires canoniques

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)

Isomères SMILES

CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)O)N4CCN(CC4)C5=NC=C(C=C5)C(F)(F)F

Poids moléculaire

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
    • Classe Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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

Cibles associées (non humaines)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in DMSO.

Foire aux questions

How should this product be stored?

Store at ?20 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 868604-75-5, the molecular formula is C24H33F3N4O2, and the molecular weight is 466.5 g/mol. InChIKey QTLNSFMROWVHJU-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.