BMS-986299 - Moligand™, ≥98% , CAS No.2242952-69-6

CAS: 2242952-69-6 Cat. No.: B420002 分子式: C₁₈H₁₉N₇O 分子量: 349.39 PubChem CID: 137498152

GRADE & PURITY Moligand™, ≥98%

Synonyms

N-((4-Amino-7-(1H-pyrazol-3-yl)-1H-imidazo[4,5-c]quinolin-2-yl)methyl)-N-ethylacetamide | SCHEMBL20741479 | AKOS040759873 | compound 112 [WO2018152396A1] | GTPL11509 | UNII-VS58MO4P47 | Acetamide, N-((4-amino-7-(1H-pyrazol-3-yl)-3H-imidazo(4,5-C)quinolin-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

同義語

N-((4-Amino-7-(1H-pyrazol-3-yl)-1H-imidazo[4,5-c]quinolin-2-yl)methyl)-N-ethylacetamide | SCHEMBL20741479 | AKOS040759873 | compound 112 [WO2018152396A1] | GTPL11509 | UNII-VS58MO4P47 | Acetamide, N-((4-amino-7-(1H-pyrazol-3-yl)-3H-imidazo(4,5-C)quinolin-

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

AGONIST

純度

≥98%

名前と識別子

• パブケム・シド: 488203023
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488203023
• カノニカル・スマイル: CCN(CC1=NC2=C(N1)C(=NC3=C2C=CC(=C3)C4=CC=NN4)N)C(=O)C
• IUPAC Name: N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide
• InChIKey: UHNRLQRZRNKOKU-UHFFFAOYSA-N
• INCHI: 1S/C18H19N7O/c1-3-25(10(2)26)9-15-22-16-12-5-4-11(13-6-7-20-24-13)8-14(12)21-18(19)17(16)23-15/h4-8H,3,9H2,1-2H3,(H2,19,21)(H,20,24)(H,22,23)
• 異性体SMILES: CCN(CC1=NC2=C(N1)C(=NC3=C2C=CC(=C3)C4=CC=NN4)N)C(=O)C
• 代替CAS番号: 2242952-69-6
• PubChem CID: 137498152
• 分子量: 349.39

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Quinolines and derivatives
      • Subclass Imidazoquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Quinolines and derivatives
• Subclass: Imidazoquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazoquinolines
• Alternative Parents: Phenylimidazoles Imidazo-[4,5-c]pyridines Methylpyridines 2-halopyridines Imidolactams Benzenoids Tertiary carboxylic acid amides Pyrazoles Heteroaromatic compounds Acetamides Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Hydrazones Carboximidamides Azacyclic compounds Amidines Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazoquinoline - 4-phenylimidazole - Imidazo-[4,5-c]pyridine - Imidazopyridine - 2-halopyridine - Methylpyridine - Imidolactam - Benzenoid - Pyridine - Heteroaromatic compound - Acetamide - Tertiary carboxylic acid amide - Pyrazole - Imidazole - Azole - Carboxamide group - Amino acid or derivatives - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Hydrazone - Carboxylic acid derivative - Amidine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as imidazoquinolines. These are aromatic heterocyclic compounds containing an imidazole ring fused to a quinoline ring system. In some configurations, the imidazole ring shares a nitrogen atom with the quinoline 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

化学的性質と物理的性質

• 溶解度: DMSO：70mg/mL（200.35mM）；Ethanol: insoluble；H2O: 9mg/mL（25.76mM）
• 分子量: 349.400 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 349.165 Da
• Monoisotopic Mass: 349.165 Da
• Topological Polar Surface Area: 117.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 518.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1