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

CAS: 1703788-21-9 Cat. No.: C648806 Formule: C₂₅H₂₇N₇O₃ Poids moléculaire: 473.53 PubChem CID: 91754477

GRADE & PURITY ≥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

Vue d’ensemble

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

Specifications

Synonymes

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

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

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

Type d'action

INHIBITOR

Pureté

≥98%

Noms et identifiants

• Sourires canoniques: 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
• Isomères SMILES: CC1=NN(C=C1CN2C[C@@H](CO2)O)C3=NC(=NC=C3)NC4=CC5=C(C=C4)N(C=C5C(=O)C6CC6)C
• CAS alternatif: 1703788-21-9
• PubChem CID: 91754477
• Termes d'entrée 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
• Poids moléculaire: 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
• Description: 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

Cibles associées (humaines)

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)

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: DMSO : 50 mg/mL (105.59 mM; Need ultrasonic)
• Poids moléculaire: 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