4BP-TQS - Moligand™, ≥98% , Agonist of nicotinic acetylcholine receptor α7 subunit, CAS No.360791-49-7, Agonist of nicotinic acetylcholine receptor α7 subunit

CAS: 360791-49-7 Cat. No.: B412935 분자식: C₁₈H₁₇BrN₂O₂S 분자량: 405.31

GRADE & PURITY Moligand™, ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Information

4BP-TQS is an allosteric agonist of α7 subunit-containing neuronal nicotinic acetylcholine receptors (nAChRs).

Specifications

사양 및 순도

Moligand™, ≥98%

생화학 및 생리적 메커니즘

4BP-TQS is an allosteric agonist of α7 subunit-containing neuronal nicotinic acetylcholine receptors (nAChRs).

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

AGONIST

작동 메커니즘

Agonist of nicotinic acetylcholine receptor α7 subunit

순수함

≥98%

이름과 식별자

• Pubchem Sid: 528761078
• 정식 스마일: C1C=CC2C1C(NC3=C2C=C(C=C3)S(=O)(=O)N)C4=CC=C(C=C4)Br
• IUPAC Name: 4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
• InChIKey: YNCXHXYZTLIZTO-UHFFFAOYSA-N
• INCHI: 1S/C18H17BrN2O2S/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(24(20,22)23)8-9-17(16)21-18/h1-2,4-10,14-15,18,21H,3H2,(H2,20,22,23)
• 이성체 SMILES: C1C=CC2C1C(NC3=C2C=C(C=C3)S(=O)(=O)N)C4=CC=C(C=C4)Br
• 분자량: 405.31
• Reaxy-Rn: 25794178
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25794178&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Quinolines and derivatives
      • Subclass Phenylquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Quinolines and derivatives
• Subclass: Phenylquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylquinolines
• Alternative Parents: Hydroquinolines Secondary alkylarylamines Bromobenzenes Aralkylamines Organosulfonamides Aryl bromides Aminosulfonyl compounds Azacyclic compounds Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylquinoline - Tetrahydroquinoline - Bromobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aralkylamine - Aryl halide - Benzenoid - Organosulfonic acid amide - Aryl bromide - Monocyclic benzene moiety - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary amine - Azacycle - Organopnictogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Amine - Organosulfur compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group.
• 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(인간)

CHRNA7 Tchem Neuronal acetylcholine receptor subunit alpha-7 (0 Activities)

Discover Target: CHRNA7

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

관련 대상(비인간)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

작용 메커니즘

화학 및 물리적 특성

• 분자량: 405.300 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 404.019 Da
• Monoisotopic Mass: 404.019 Da
• Topological Polar Surface Area: 80.600 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 595.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 3
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1