(5R)-4-(cyclohexylmethyl)-1-[(2R)-1-[(2S)-2-[[(6S)-2,3-dioxo-6-propan-2-ylpiperazin-1-yl]methyl]pyrrolidin-1-yl]-3-naphthalen-2-ylpropan-2-yl]-5-[(4-hydroxyphenyl)methyl]piperazine-2,3-dione - Moligand™ , Antagonist of FPR2/ALX, CAS No.R608781, Antagonist of FPR2/ALX

CAS: R608781 Cat. No.: R608781 PubChem CID: 91827351

GRADE & PURITY Moligand™

Synonyms

compound 1754-31

Storage

Room temperature

Specifications

Synonyms

compound 1754-31

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of FPR2/ALX

Names and Identifiers

• Canonical Smiles: CC([C@H]1CNC(=O)C(=O)N1C[C@@H]1CCCN1C[C@H](N1C[C@@H](Cc2ccc(cc2)O)N(C(=O)C1=O)CC1CCCCC1)Cc1ccc2c(c1)cccc2)C
• InChIKey: RWNPDBWKKCTTOI-WIQNKZILSA-N
• INCHI: 1S/C43H55N5O5/c1-29(2)39-24-44-40(50)41(51)48(39)27-35-13-8-20-45(35)26-36(23-32-14-17-33-11-6-7-12-34(33)21-32)47-28-37(22-30-15-18-38(49)19-16-30)46(42(52)43(47)53)25-31-9-4-3-5-10-31/h6-7,11-12,14-19,21,29,31,35-37,39,49H,3-5,8-10,13,20,22-28H2,1-2H3,(H,44,50)/t35-,36+,37+,39+/m0/s1
• Isomeric SMILES: CC(C)[C@H]1CNC(=O)C(=O)N1C[C@@H]2CCCN2C[C@@H](CC3=CC4=CC=CC=C4C=C3)N5C[C@H](N(C(=O)C5=O)CC6CCCCC6)CC7=CC=C(C=C7)O
• PubChem CID: 91827351

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Alpha amino acids and derivatives Dioxopiperazines N-alkylpiperazines Aralkylamines 1-hydroxy-2-unsubstituted benzenoids N-alkylpyrrolidines Benzene and substituted derivatives Tertiary carboxylic acid amides Trialkylamines Secondary carboxylic acid amides Lactams Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid or derivatives - Naphthalene - Dioxopiperazine - 1-hydroxy-2-unsubstituted benzenoid - Phenol - N-alkylpiperazine - Aralkylamine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - N-alkylpyrrolidine - Tertiary carboxylic acid amide - Pyrrolidine - Tertiary aliphatic amine - Carboxamide group - Lactam - Amino acid or derivatives - Tertiary amine - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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)

FPR2 Tchem N-formyl peptide receptor 2 (2 Activities)

Discover Target: FPR2

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

Mechanisms of Action