dBRD 9-A , CAS No.2170679-42-0

CAS: 2170679-42-0 Cat. No.: D1429081 EC Number: 861-637-5 PubChem CID: 139370810

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

dBRD 9-A is a PROTAC which can selective degrade BRD9. dBRD 9-A improves the bromine domain binding profile and reduces the binding activity of the whole BET family.

Specifications

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.

Names and Identifiers

• Canonical Smiles: CN1C=C(C2=C(C1=O)C=NC=C2)C3=CC(=C(C(=C3)OC)CN(C)CC(=O)NCCCCCCCCNC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=O)OC
• IUPAC Name: 2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]acetamide
• InChIKey: ZDINQSNMYRVAGP-UHFFFAOYSA-N
• INCHI: 1S/C42H49N7O8/c1-47(23-31-34(56-3)20-26(21-35(31)57-4)30-24-48(2)40(53)29-22-43-19-16-27(29)30)25-37(51)45-18-10-8-6-5-7-9-17-44-32-13-11-12-28-38(32)42(55)49(41(28)54)33-14-15-36(50)46-39(33)52/h11-13,16,19-22,24,33,44H,5-10,14-15,17-18,23,25H2,1-4H3,(H,45,51)(H,46,50,52)
• Isomeric SMILES: CN1C=C(C2=C(C1=O)C=NC=C2)C3=CC(=C(C(=C3)OC)CN(C)CC(=O)NCCCCCCCCNC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=O)OC
• Alternate CAS: 2170679-42-0
• PubChem CID: 139370810

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 Alpha amino acid amides

• 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: Alpha amino acid amides
• Alternative Parents: Phthalimides Naphthyridines Piperidinediones Phenylmethylamines Phenoxy compounds Methoxybenzenes Benzylamines Anisoles Secondary alkylarylamines Methylpyridines Maleimides Dihydropyridines Delta lactams Aralkylamines Alkyl aryl ethers N-substituted carboxylic acid imides N-acyl amines Vinylogous amides Tertiary carboxylic acid amides Pyrrolines N-unsubstituted carboxylic acid imides Heteroaromatic compounds Dicarboximides Trialkylamines Propargyl-type 1,3-dipolar organic compounds Dialkylamines Azacyclic compounds Aldimines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid amide - Phthalimide - Diazanaphthalene - Naphthyridine - Isoindolone - Isoindole or derivatives - Isoindoline - Phenoxy compound - Methoxybenzene - Piperidinedione - Phenylmethylamine - Phenol ether - Benzylamine - Anisole - Methylpyridine - Aralkylamine - Maleimide - Secondary aliphatic/aromatic amine - Piperidinone - Dihydropyridine - Delta-lactam - Alkyl aryl ether - Benzenoid - Pyridine - Piperidine - Carboxylic acid imide, n-substituted - N-acyl-amine - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Tertiary carboxylic acid amide - Pyrroline - Carboxylic acid imide, n-unsubstituted - Dicarboximide - Carboxylic acid imide - Tertiary aliphatic amine - Tertiary amine - Lactam - Carboxamide group - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Ether - Secondary aliphatic amine - Aldimine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Imine - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
• 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