VU0486846 - Moligand™, ≥98% , Allosteric modulator of M 1 receptor, CAS No.1788055-11-7, Allosteric modulator of M 1 receptor

CAS: 1788055-11-7 Cat. No.: V614807 分子式: C₂₅H₂₈N₄O₃ 分子量: 432.51

GRADE & PURITY Moligand™, ≥98%

Synonyms

GTPL12305 | (2R)-3,4-Dihydro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(1H-pyrazol-1-yl)phenyl]methyl]-2H-1,4-benzoxazine-2-carboxamide | 1788055-11-7 | DTXSID501105206 | SCHEMBL16775185 | (R)-4-(4-(1H-Pyrazol-1-yl)benzyl)-N-((1S,2S)-2-hydroxycyclohexyl)-3,4-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

VU0486846 is a selective positive allosteric modulator (PAM) of the muscarinic acetylcholine receptor M1 subtype.

Specifications

同義語

GTPL12305 | (2R)-3,4-Dihydro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(1H-pyrazol-1-yl)phenyl]methyl]-2H-1,4-benzoxazine-2-carboxamide | 1788055-11-7 | DTXSID501105206 | SCHEMBL16775185 | (R)-4-(4-(1H-Pyrazol-1-yl)benzyl)-N-((1S,2S)-2-hydroxycyclohexyl)-3,4-

仕様と純度

Moligand™, ≥98%

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。

等級

Moligand™

アクションタイプ

ALLOSTERIC MODULATOR

作用メカニズム

Allosteric modulator of M 1 receptor

純度

≥98%

名前と識別子

• カノニカル・スマイル: C1CCC(C(C1)NC(=O)C2CN(C3=CC=CC=C3O2)CC4=CC=C(C=C4)N5C=CC=N5)O
• IUPAC Name: (2R)-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
• InChIKey: LZCHTDQRMCSDSE-ODGPQVTHSA-N
• INCHI: 1S/C25H28N4O3/c30-22-8-3-1-6-20(22)27-25(31)24-17-28(21-7-2-4-9-23(21)32-24)16-18-10-12-19(13-11-18)29-15-5-14-26-29/h2,4-5,7,9-15,20,22,24,30H,1,3,6,8,16-17H2,(H,27,31)/t20-,22-,24+/m0/s1
• 異性体SMILES: C1CC[C@@H]([C@H](C1)NC(=O)[C@H]2CN(C3=CC=CC=C3O2)CC4=CC=C(C=C4)N5C=CC=N5)O
• 代替CAS番号: 1788055-11-7
• MeSH用語: VU0486846
• 分子量: 432.51

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrazoles
• Alternative Parents: Benzoxazines Benzomorpholines Phenylmethylamines Dialkylarylamines Benzylamines Cyclohexanols Aralkylamines Alkyl aryl ethers Heteroaromatic compounds Secondary carboxylic acid amides Cyclic alcohols and derivatives Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylpyrazole - Benzoxazine - Benzomorpholine - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Phenylmethylamine - Benzylamine - Aralkylamine - Cyclohexanol - Alkyl aryl ether - Benzenoid - Oxazinane - Monocyclic benzene moiety - Heteroaromatic compound - Cyclic alcohol - Tertiary amine - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Amino acid or derivatives - Oxacycle - Azacycle - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Alcohol - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to 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

関連ターゲット（人間）

CHRM1 Tclin Muscarinic acetylcholine receptor M1 (0 Activities)

Discover Target: CHRM1

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

CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

Discover Target: CHRM1

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

作用メカニズム