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

CAS: 1380548-02-6 Cat. No.: S288821 분자식: C₃₁H₃₁NO₃ 분자량: 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

개요

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

동의어

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

사양 및 순도

≥98%(HPLC)

생화학 및 생리적 메커니즘

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

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%(HPLC)

이름과 식별자

• Pubchem Sid: 488202042
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202042
• 정식 스마일: 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
• 이성체 SMILES: CC(C)(C)OC1=CC=C(C=C1)OCC2CC3=CC=CC=C3CN2C(=O)C4=CC=CC5=CC=CC=C54
• PubChem CID: 60168097
• 분자량: 465.58

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

관련 대상(비인간)

Rattus norvegicus (775804 Activities)

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Brain (1 Activities)

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Plasma (328 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 용해성: Solvent:DMSO, Max Conc. mg/mL: 2.33, Max Conc. mM: 5 with gentle warming
• 분자량: 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