DSP-2230 - ≥98% , CAS No.1233231-30-5

CAS: 1233231-30-5 Cat. No.: D647963 Fórmula: C₂₀H₂₀F₃N₅O₂ Peso molecular: 419.40 PubChem CID: 129080919

GRAU & PUREZA ≥98%

Synonyms

1233231-30-5 | MS-27342 | (2S)-2-(((3-Cyclobutyl-5-(3,4,5-trifluorophenoxy)-3H-imidazo(4,5-b)pyridin-2-yl)methyl)amino)propanamide | SCHEMBL18797638 | AKOS040741676 | EX-A3107 | DSP-2230 | (S)-2-(((3-cyclobutyl-5-(3,4,5-trifluorophenoxy)-3H-imidazo[4,5-b]

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

DSP-2230 is a selective Nav1.7/Nav1.8 blocker

Form:Solid

IC50& Target:Nav1.7/Nav1.8

Especificações

Sinónimos

1233231-30-5 | MS-27342 | (2S)-2-(((3-Cyclobutyl-5-(3,4,5-trifluorophenoxy)-3H-imidazo(4,5-b)pyridin-2-yl)methyl)amino)propanamide | SCHEMBL18797638 | AKOS040741676 | EX-A3107 | DSP-2230 | (S)-2-(((3-cyclobutyl-5-(3,4,5-trifluorophenoxy)-3H-imidazo[4,5-b]

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

DSP-2230 is a selective Nav1.7/Nav1.8 blocker.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Pureza

≥98%

Nomes e identificadores

Sorrisos canónicos

CC(C(=O)N)NCC1=NC2=C(N1C3CCC3)N=C(C=C2)OC4=CC(=C(C(=C4)F)F)F

IUPAC Name

(2S)-2-[[3-cyclobutyl-5-(3,4,5-trifluorophenoxy)imidazo[4,5-b]pyridin-2-yl]methylamino]propanamide

InChIKey

HHXCJIMPEJSJTG-JTQLQIEISA-N

INCHI

1S/C20H20F3N5O2/c1-10(19(24)29)25-9-16-26-15-5-6-17(27-20(15)28(16)11-3-2-4-11)30-12-7-13(21)18(23)14(22)8-12/h5-8,10-11,25H,2-4,9H2,1H3,(H2,24,29)/t10-/m0/s1

SMILES isoméricas

C[C@@H](C(=O)N)NCC1=NC2=C(N1C3CCC3)N=C(C=C2)OC4=CC(=C(C(=C4)F)F)F

CAS alternativo

1233231-30-5

PubChem CID

129080919

Peso molecular

419.40

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alanine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alanine and derivatives
• Alternative Parents: Imidazopyridines Phenol ethers Methylpyridines Fluorobenzenes 2-halopyridines N-substituted imidazoles Heteroaromatic compounds Ethers Dialkylamines Carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alanine or derivatives - Imidazopyridine - Phenol ether - 2-halopyridine - Methylpyridine - Halobenzene - Fluorobenzene - Benzenoid - Pyridine - N-substituted imidazole - Monocyclic benzene moiety - Heteroaromatic compound - Azole - Carboxamide group - Azacycle - Organoheterocyclic compound - Secondary amine - Ether - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as alanine and derivatives. These are compounds containing alanine or a derivative thereof resulting from reaction of alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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

Propriedades químicas e físicas

• Solubilidade: DMSO : 125 mg/mL (298.04 mM; Need ultrasonic)
• Peso molecular: 419.400 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 419.157 Da
• Monoisotopic Mass: 419.157 Da
• Topological Polar Surface Area: 95.100 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 601.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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