IL-17A inhibitor 1 - ≥99% , CAS No.2452464-73-0

CAS: 2452464-73-0 Cat. No.: I650239 Molecular Weight: 586.51 PubChem CID: 154642729

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

IL-17A inhibitor 1 (example 24) is a IL-17A inhibitor, with IC 50 values of <9.45 nM and 9.3 nM in alphalisa assay and HT-29 cells

In Vivo

IL-17A inhibitor 1 (example 24) possesses high oral bioavailability (F=107%) . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:IL-17

Specifications

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

IL-17A inhibitor 1 (example 24) is a IL-17A inhibitor, with IC 50 values of <9.45 nM and 9.3 nM in alphalisa assay and HT-29 cells.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC1=NON=C1C(=O)NC(C2CCC(CC2)(F)F)C3=CN4C(=N3)C=C(C=N4)C(COC)N5CC(NC5=O)C(F)(F)F
• IUPAC Name: N-[(S)-(4,4-difluorocyclohexyl)-[7-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
• InChIKey: MVWVCLAORBNXSD-UWVAXJGDSA-N
• INCHI: 1S/C24H27F5N8O4/c1-12-19(35-41-34-12)21(38)33-20(13-3-5-23(25,26)6-4-13)15-9-37-18(31-15)7-14(8-30-37)16(11-40-2)36-10-17(24(27,28)29)32-22(36)39/h7-9,13,16-17,20H,3-6,10-11H2,1-2H3,(H,32,39)(H,33,38)/t16-,17+,20+/m1/s1
• PubChem CID: 154642729
• Molecular Weight: 586.51

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Alkyl halides
      • Subclass Cyclohexyl halides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Alkyl halides
• Subclass: Cyclohexyl halides
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclohexyl halides
• Alternative Parents: Pyridazines and derivatives N-acyl amines Imidazolidinones Heteroaromatic compounds Furazans Organic carbonic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Dialkyl ethers Carboxylic acid amides Azacyclic compounds Amidines Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Cyclohexyl halide - Fatty acyl - Pyridazine - N-acyl-amine - Imidazolidinone - Fatty amide - Heteroaromatic compound - Oxadiazole - Imidazolidine - Furazan - Azole - Carbonic acid derivative - Carboxamide group - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Dialkyl ether - Carboxylic acid derivative - Amidine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Alkyl fluoride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as cyclohexyl halides. These are organohalogen compounds containing a monocyclic cyclohexane moiety that is substituted at one or more positions by an halogen atom.
• 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

Chemical and Physical Properties

• Solubility: DMSO : 250 mg/mL (426.25 mM; Need ultrasonic)