LU-005i , CAS No.1620107-33-6

CAS: 1620107-33-6 Cat. No.: L1443319 PubChem CID: 101874274

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

LU-005i is a potent inhibitor of β5i subunit of immunoproteasomes ( IC 50 = 6.6 nM), selective over β5c subunit ( IC 50 = 287 nM).

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.

Action Type

INHIBITOR

Names and Identifiers

• Canonical Smiles: CC(C(=O)NC(CC1=CC=C(C=C1)OC)C(=O)NC(CC2CCCCC2)C(=O)C3(CO3)C)NC(=O)CN4CCOCC4
• IUPAC Name: (2S)-N-[(2S)-3-cyclohexyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]-3-(4-methoxyphenyl)-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanamide
• InChIKey: UHNYITHLNFUAIN-VTNASVEKSA-N
• INCHI: 1S/C31H46N4O7/c1-21(32-27(36)19-35-13-15-41-16-14-35)29(38)34-26(18-23-9-11-24(40-3)12-10-23)30(39)33-25(28(37)31(2)20-42-31)17-22-7-5-4-6-8-22/h9-12,21-22,25-26H,4-8,13-20H2,1-3H3,(H,32,36)(H,33,39)(H,34,38)/t21-,25-,26-,31+/m0/s1
• Isomeric SMILES: C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)OC)C(=O)N[C@@H](CC2CCCCC2)C(=O)[C@]3(CO3)C)NC(=O)CN4CCOCC4
• PubChem CID: 101874274

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Oligopeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Oligopeptides
• Alternative Parents: Phenylalanine and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Alanine and derivatives Amphetamines and derivatives Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Morpholines Fatty amides Trialkylamines Secondary carboxylic acid amides Ketones Oxacyclic compounds Epoxides Azacyclic compounds Dialkyl ethers Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-oligopeptide - Phenylalanine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alanine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Phenoxy compound - Phenol ether - Anisole - Methoxybenzene - Alkyl aryl ether - Fatty acyl - Benzenoid - Morpholine - Fatty amide - Oxazinane - Monocyclic benzene moiety - Amino acid or derivatives - Carboxamide group - Ketone - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Dialkyl ether - Azacycle - Organoheterocyclic compound - Oxirane - Ether - Oxacycle - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
• 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