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

CAS: 868604-75-5 Cat. No.: H334444 Fórmula: C₂₄H₃₃F₃N₄O₂ Peso molecular: 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

Visão geral

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

Specifications

Sinónimos

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

Condições de armazenamento de armazenamento

Protected from light,Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Nomes e identificadores

• Sorrisos canónicos: 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)
• SMILES isoméricas: CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)O)N4CCN(CC4)C5=NC=C(C=C5)C(F)(F)F
• Peso molecular: 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
• Descrição: 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

Alvos associados (não humanos)

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in DMSO.

Perguntas frequentes

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.