WAY-637570 - 10mM in DMSO , CAS No.1097624-48-0

CAS: 1097624-48-0 Cat. No.: W420575 Formula: C₂₁H₂₄N₂O₂ Molecular Weight: 336.43 PubChem CID: 4877803

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

inhibit the prion protein conversion from PrPC to PrPSc

Specifications

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Product Properties

ALogP

3.738

HBD Count

1

Rotatable Bond

5

Names and Identifiers

Pubchem Sid

528768273

Canonical Smiles

CCC(C)C(C(=O)N1CCC2=CC=CC=C21)NC(=O)C3=CC=CC=C3

IUPAC Name

N-[1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxopentan-2-yl]benzamide

InChIKey

ZVJMRPCDQIPYRL-UHFFFAOYSA-N

INCHI

1S/C21H24N2O2/c1-3-15(2)19(22-20(24)17-10-5-4-6-11-17)21(25)23-14-13-16-9-7-8-12-18(16)23/h4-12,15,19H,3,13-14H2,1-2H3,(H,22,24)

Isomeric SMILES

CCC(C)C(C(=O)N1CCC2=CC=CC=C21)NC(=O)C3=CC=CC=C3

PubChem CID

4877803

Molecular Weight

336.43

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Isoleucine and derivatives
• Alternative Parents: N-acyl-alpha amino acids and derivatives Hippuric acids and derivatives Alpha amino acid amides Indoles and derivatives Benzoyl derivatives Tertiary carboxylic acid amides Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoleucine or derivatives - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Benzamide - Benzoic acid or derivatives - Indole or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as isoleucine and derivatives. These are compounds containing isoleucine or a derivative thereof resulting from reaction of isoleucine 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

Associated Targets(Human)

PRNP Tchem Prion protein (409 Activities)

Discover Target: PRNP

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• DMSO(mM) Max Solubility: 10