SR-31747 free base , CAS No.132173-06-9

CAS: 132173-06-9 Cat. No.: S651368 Fórmula: C₂₃H₃₄ClN Peso molecular: 359.98 PubChem CID: 6913112

Synonyms

UNII-G622F7P8LU | Cyclohexanamine, N-(3-(3-chloro-4-cyclohexylphenyl)-2-propenyl)-N-ethyl-, (Z)- | SCHEMBL6652640 | C23H34ClN | 3-(3-chloro-4-cyclohexylphenyl)-n-cyclohexyl-n-ethyl-2(z)-propenylamine | AKOS015924573 | N-[(Z)-3-(3-chloro-4-cyclohexylphenyl

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

SR-31747 free base is a sigma ligand with immunosuppressive and anti-inflammatory properties. SR-31747 blocks cell proliferation by inhibiting sterol isomerase

In Vitro

SR-31747 blocks the proliferation of lymphocytes at a concentration of 10 nM. SR-31747 is capable of inhibiting T-cell proliferation when added as late as 24 h after activation. SR-31747 arrests proliferation in yeast cells in a dose-dependent manner. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

In vivo, SR-31747 dramatically blocks lipopolysaccharide-induced production of IL-1, IL-6 and TNF-α in a dose-dependent manner (ED 50 , 2 mg/kg). SR-31747 probably abrogated monokine production through an indirect mechanism that involves endogenous corticosteroids. This conclusion was supported by in vivo experiments that shows that: 1) ablation of corticosteroids by use of Mifepristone or adrenalectomy suppress the effect of SR-31747; 2) administration of SR-31747 induces an enhancement of the corticosterone level. SR-31747 improves the survival of animals with endotoxinic shock as a result of monokine inhibition . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Liquid

IC50& Target:Sigma ligand

Especificações

Sinónimos

UNII-G622F7P8LU | Cyclohexanamine, N-(3-(3-chloro-4-cyclohexylphenyl)-2-propenyl)-N-ethyl-, (Z)- | SCHEMBL6652640 | C23H34ClN | 3-(3-chloro-4-cyclohexylphenyl)-n-cyclohexyl-n-ethyl-2(z)-propenylamine | AKOS015924573 | N-[(Z)-3-(3-chloro-4-cyclohexylphenyl

Mecanismos bioquímicos e fisiológicos

SR-31747 free base is a sigma ligand with immunosuppressive and anti-inflammatory properties. SR-31747 blocks cell proliferation by inhibiting sterol isomerase.

Condições de armazenamento de armazenamento

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

CCN(CC=CC1=CC(=C(C=C1)C2CCCCC2)Cl)C3CCCCC3

IUPAC Name

N-[(Z)-3-(3-chloro-4-cyclohexylphenyl)prop-2-enyl]-N-ethylcyclohexanamine

InChIKey

MYKJVLTXPNIGOV-KTKRTIGZSA-N

INCHI

1S/C23H34ClN/c1-2-25(21-13-7-4-8-14-21)17-9-10-19-15-16-22(23(24)18-19)20-11-5-3-6-12-20/h9-10,15-16,18,20-21H,2-8,11-14,17H2,1H3/b10-9-

SMILES isoméricas

CCN(C/C=C\C1=CC(=C(C=C1)C2CCCCC2)Cl)C3CCCCC3

CAS alternativo

132173-06-9

PubChem CID

6913112

Peso molecular

359.98

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Styrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Styrenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Styrenes
• Alternative Parents: Cyclohexylamines Chlorobenzenes Aryl chlorides Trialkylamines Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Styrene - Halobenzene - Cyclohexylamine - Chlorobenzene - Aryl halide - Aryl chloride - Tertiary aliphatic amine - Tertiary amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety.
• 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)

Sigmar1 Sigma opioid receptor (160 Activities)

Discover Target: Sigmar1

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

Tmem97 Sigma intracellular receptor 2 (922 Activities)

Discover Target: Tmem97

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMSO : 5 mg/mL (13.89 mM; Need ultrasonic)
• Peso molecular: 360.000 g/mol
• XLogP3: 7.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 359.238 Da
• Monoisotopic Mass: 359.238 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 395.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1