Cevidoplenib - ≥98% , CAS No.1703788-21-9

CAS: 1703788-21-9 Cat. No.: C648806 Fórmula: C₂₅H₂₇N₇O₃ Peso molecular: 473.53 PubChem CID: 91754477

GRAU & PUREZA ≥98%

Synonyms

UNII-3N3H8BX897 | (S)-cyclopropyl(5-(4-(4-((4-hydroxyisoxazolidin-2-yl)methyl)-3-methyl-1H-pyrazol-1-yl)pyrimidin-2-ylamino)-1-methyl-1H-indol-3-yl)methanone | HY-109082 | SCHEMBL16653204 | BDBM196772 | Methanone, cyclopropyl(5-((4-(4-(((4S)-4-hydroxy-2-i

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Cevidoplenib is an orally available inhibitor of spleen tyrosine kinase (Syk) , with potential anti-inflammatory and immunomodulating activities.

In Vivo

Upon oral administration, cevidoplenib binds to and inhibits the activity of SYK, blocking Fc receptor and B-cell receptor (BCR)-mediated signaling in inflammatory cells, including macrophages, neutrophils, mast cells, natural killer (NK) cells and B cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Especificações

Sinónimos

UNII-3N3H8BX897 | (S)-cyclopropyl(5-(4-(4-((4-hydroxyisoxazolidin-2-yl)methyl)-3-methyl-1H-pyrazol-1-yl)pyrimidin-2-ylamino)-1-methyl-1H-indol-3-yl)methanone | HY-109082 | SCHEMBL16653204 | BDBM196772 | Methanone, cyclopropyl(5-((4-(4-(((4S)-4-hydroxy-2-i

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

Cevidoplenib is an orally available inhibitor of spleen tyrosine kinase (Syk) , with potential anti-inflammatory and immunomodulating activities.

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

CC1=NN(C=C1CN2CC(CO2)O)C3=NC(=NC=C3)NC4=CC5=C(C=C4)N(C=C5C(=O)C6CC6)C

IUPAC Name

cyclopropyl-[5-[[4-[4-[[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindol-3-yl]methanone

InChIKey

YCZUBLQESBVOSH-IBGZPJMESA-N

INCHI

1S/C25H27N7O3/c1-15-17(10-31-12-19(33)14-35-31)11-32(29-15)23-7-8-26-25(28-23)27-18-5-6-22-20(9-18)21(13-30(22)2)24(34)16-3-4-16/h5-9,11,13,16,19,33H,3-4,10,12,14H2,1-2H3,(H,26,27,28)/t19-/m0/s1

SMILES isoméricas

CC1=NN(C=C1CN2C[C@@H](CO2)O)C3=NC(=NC=C3)NC4=CC5=C(C=C4)N(C=C5C(=O)C6CC6)C

CAS alternativo

1703788-21-9

PubChem CID

91754477

Termos de entrada MeSH

cevidoplenib;cyclopropyl-(5-((4-(4-(((4S)-4-hydroxy-1,2-oxazolidin-2-yl)methyl)-3-methylpyrazol-1-yl)pyrimidin-2-yl)amino)-1-methylindol-3-yl)methanone;SKI-O-703

Peso molecular

473.53

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass N-alkylindoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: N-alkylindoles
• Intermediate Tree Nodes: Not available
• Direct Parent: N-alkylindoles
• Alternative Parents: Indoles Aryl alkyl ketones Aminopyrimidines and derivatives N-methylpyrroles Benzenoids Vinylogous amides Pyrazoles Isoxazolidines Heteroaromatic compounds Secondary alcohols Secondary amines Oxacyclic compounds N-organohydroxylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-alkylindole - Indole - Aryl alkyl ketone - Aryl ketone - Aminopyrimidine - Benzenoid - Substituted pyrrole - Pyrimidine - N-methylpyrrole - Heteroaromatic compound - Vinylogous amide - Pyrrole - Pyrazole - Isoxazolidine - Azole - Secondary alcohol - Ketone - Oxacycle - Azacycle - N-organohydroxylamine - Secondary amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as n-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 1-position.
• 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

Alvos associados (humanos)

SYK Tclin Tyrosine-protein kinase SYK (1 Activities)

Discover Target: SYK

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMSO : 50 mg/mL (105.59 mM; Need ultrasonic)
• Peso molecular: 473.500 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 473.218 Da
• Monoisotopic Mass: 473.218 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 769.000
• 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