SR 10067 - ≥98%(HPLC) , CAS No.1380548-02-6

CAS: 1380548-02-6 Cat. No.: S288821 分子式: C₃₁H₃₁NO₃ 分子量: 465.58 PubChem CID: 60168097

GRADE & PURITY ≥98%(HPLC)

Synonyms

[3-[[4-(1,1-Dimethylethoxy)phenoxy]methyl]-3,4-dihydro-2(1H)-isoquinolinyl]-1-naphthalenylmethanone

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Product description：

SR10067 is a potent, selective and brain penetrant REV-ERB agonist. SR10067 has high affinity for Rev-Erbβ and Rev-Erbα with IC50 values of 160 nM and 170 nM, respectively. SR10067 can be used for the research of metabolic diseases and neuropsychiatric disorders.

Specifications

同義語

[3-[[4-(1,1-Dimethylethoxy)phenoxy]methyl]-3,4-dihydro-2(1H)-isoquinolinyl]-1-naphthalenylmethanone

仕様と純度

≥98%(HPLC)

生化学的・生理学的メカニズム

Selective Rev-Erbα/β agonist (IC50values are 160 and 170 nM for Rev-Erbβ and Rev-Erbα respectively). Exhibits no significant activity against a wide range of nuclear receptors, other receptors, ion channels and transporters at 20 μM. Increases wakefulness

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%(HPLC)

名前と識別子

パブケム・シド

488202042

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488202042

カノニカル・スマイル

CC(C)(C)OC1=CC=C(C=C1)OCC2CC3=CC=CC=C3CN2C(=O)C4=CC=CC5=CC=CC=C54

IUPAC Name

[3-[[4-[(2-methylpropan-2-yl)oxy]phenoxy]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-naphthalen-1-ylmethanone

InChIKey

MOPAGKWBFUICQT-UHFFFAOYSA-N

INCHI

1S/C31H31NO3/c1-31(2,3)35-27-17-15-26(16-18-27)34-21-25-19-23-10-4-5-11-24(23)20-32(25)30(33)29-14-8-12-22-9-6-7-13-28(22)29/h4-18,25H,19-21H2,1-3H3

異性体SMILES

CC(C)(C)OC1=CC=C(C=C1)OCC2CC3=CC=CC=C3CN2C(=O)C4=CC=CC5=CC=CC=C54

PubChem CID

60168097

分子量

465.58

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Naphthalenes
      • Subclass Naphthalenecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Naphthalenes
• Subclass: Naphthalenecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenecarboxamides
• Alternative Parents: Tetrahydroisoquinolines Phenoxy compounds Phenol ethers Alkyl aryl ethers Tertiary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-naphthalenecarboxamide - Tetrahydroisoquinoline - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Ether - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as naphthalenecarboxamides. These are compounds containing a naphthalene moiety, which bears a carboxylic acid amide group at one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene rings.
• 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

関連ターゲット（非人間）

Rattus norvegicus (775804 Activities)

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Brain (1 Activities)

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Plasma (328 Activities)

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Solvent:DMSO, Max Conc. mg/mL: 2.33, Max Conc. mM: 5 with gentle warming
• 分子量: 465.600 g/mol
• XLogP3: 6.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 465.23 Da
• Monoisotopic Mass: 465.23 Da
• Topological Polar Surface Area: 38.800 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 694.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1