BMS-986299 - Moligand™, 10mM in DMSO , CAS No.2242952-69-6

CAS: 2242952-69-6 Cat. No.: B580306 Formule: C₁₈H₁₉N₇O Poids moléculaire: 349.39 PubChem CID: 137498152

GRADE & PURITY Moligand™, 10mM in DMSO

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 -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonymes

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-

Spécifications et pureté

Moligand™, 10mM in DMSO

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

AGONIST

Noms et identifiants

• Sourires canoniques: 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)
• Isomères SMILES: CCN(CC1=NC2=C(N1)C(=NC3=C2C=CC(=C3)C4=CC=NN4)N)C(=O)C
• CAS alternatif: 2242952-69-6
• PubChem CID: 137498152
• Poids moléculaire: 349.39

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: DMSO：70mg/mL（200.35mM）；Ethanol: insoluble；H2O: 9mg/mL（25.76mM）
• Poids moléculaire: 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

Foire aux questions

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.