((R)-4-Phenyl-1-((R)-2-(pyrazine-2-carboxamido)pentanamido)butyl)boronic acid - Moligand™ , Inhibitor of lon peptidase 1; mitochondrial, CAS No.R608676, Inhibitor of lon peptidase 1; mitochondrial

CAS: R608676 Cat. No.: R608676 PubChem CID: 155884491

GRADE & PURITY Moligand™

Synonyms

compound 12d

Storage

Room temperature

Specifications

Synonyms

compound 12d

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of lon peptidase 1; mitochondrial

Names and Identifiers

• Canonical Smiles: CCC[C@H](C(=O)N[C@H](B(O)O)CCCc1ccccc1)NC(=O)c1cnccn1
• IUPAC Name: ((R)-4-Phenyl-1-((R)-2-(pyrazine-2-carboxamido)pentanamido)butyl)boronic acid
• InChIKey: KSQVGVMZECCPAT-AEFFLSMTSA-N
• INCHI: 1S/C20H27BN4O4/c1-2-7-16(24-20(27)17-14-22-12-13-23-17)19(26)25-18(21(28)29)11-6-10-15-8-4-3-5-9-15/h3-5,8-9,12-14,16,18,28-29H,2,6-7,10-11H2,1H3,(H,24,27)(H,25,26)/t16-,18+/m1/s1
• Isomeric SMILES: B([C@H](CCCC1=CC=CC=C1)NC(=O)[C@@H](CCC)NC(=O)C2=NC=CN=C2)(O)O
• PubChem CID: 155884491

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 N-acyl-alpha amino acids 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: N-acyl-alpha amino acids and derivatives
• Alternative Parents: Alpha amino acid amides Phenylbutylamines Pyrazinecarboxamides 2-heteroaryl carboxamides N-acyl amines Heteroaromatic compounds Secondary carboxylic acid amides Boronic acids Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Monoalkylboranes Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Phenylbutylamine - Pyrazinecarboxamide - Pyrazine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Fatty acyl - Benzenoid - Pyrazine - N-acyl-amine - Fatty amide - Monocyclic benzene moiety - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Boronic acid - Boronic acid derivative - Azacycle - Organic metalloid salt - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Monoalkylborane - Alkylborane - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organonitrogen compound - Organoboron compound - Carbonyl group - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen 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

Associated Targets(Human)

LONP1 Tchem Lon protease homolog, mitochondrial (1 Activities)

Discover Target: LONP1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Associated Targets(non-human)

Lonp1 Lon protease homolog, mitochondrial (3 Activities)

Discover Target: Lonp1

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

Mechanisms of Action