D-Erythro-pentitol, 1,5-anhydro-2,3-dideoxy-3-(((1R,3S)-3-((7,8-dihydro-3-(trifluoromethyl)-1,6-naphthyridin-6(5H)-yl)carbonyl)-3-(1-methylethyl)cyclopentyl)amino)-4-o-methyl- , C-C chemokine receptor type 2 antagonist, CAS No.71587773, C-C chemokine receptor type 2 antagonist

CAS: 71587773 Cat. No.: D671278 Molecular Weight: 455.6 PubChem CID: 71587773

Synonyms

P3LKY4ZL5O | CHEMBL4297538 | D-Erythro-pentitol, 1,5-anhydro-2,3-dideoxy-3-(((1R,3S)-3-((7,8-dihydro-3-(trifluoromethyl)-1,6-naphthyridin-6(5H)-yl)carbonyl)-3-(1-methylethyl)cyclopentyl)amino)-4-o-methyl- | UNII-P3LKY4ZL5O | DB11990

Storage

Room temperature

Specifications

Synonyms

P3LKY4ZL5O | CHEMBL4297538 | D-Erythro-pentitol, 1, 5-anhydro-2, 3-dideoxy-3-(((1R, 3S)-3-((7, 8-dihydro-3-(trifluoromethyl)-1, 6-naphthyridin-6(5H)-yl)carbonyl)-3-(1-methylethyl)cyclopentyl)amino)-4-o-methyl- | UNII-P3LKY4ZL5O | DB11990

Storage

Room temperature

Action Type

ANTAGONIST

Mechanism of action

C-C chemokine receptor type 2 antagonist

Product Properties

• ALogP: 3.5

Names and Identifiers

• Canonical Smiles: CC(C)C1(CCC(C1)NC2CCOCC2OC)CN3CCC4=C(C3)C=C(C=N4)C(F)(F)F
• IUPAC Name: (3S,4S)-3-methoxy-N-[(1R,3S)-3-propan-2-yl-3-[[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]cyclopentyl]oxan-4-amine
• InChIKey: UNVWTBOGMHPKJM-CWKRKGSWSA-N
• INCHI: 1S/C24H36F3N3O2/c1-16(2)23(7-4-19(11-23)29-21-6-9-32-14-22(21)31-3)15-30-8-5-20-17(13-30)10-18(12-28-20)24(25,26)27/h10,12,16,19,21-22,29H,4-9,11,13-15H2,1-3H3/t19-,21+,22-,23-/m1/s1
• Isomeric SMILES: CC(C)[C@@]1(CC[C@H](C1)N[C@H]2CCOC[C@H]2OC)CN3CCC4=C(C3)C=C(C=N4)C(F)(F)F
• PubChem CID: 71587773
• Molecular Weight: 455.6

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazanaphthalenes
      • Subclass Naphthyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazanaphthalenes
• Subclass: Naphthyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthyridines
• Alternative Parents: Aralkylamines Pyridines and derivatives Oxanes Heteroaromatic compounds Trialkylamines Oxacyclic compounds Dialkylamines Dialkyl ethers Azacyclic compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthyridine - Aralkylamine - Oxane - Pyridine - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Secondary aliphatic amine - Ether - Secondary amine - Oxacycle - Azacycle - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Amine - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Alkyl fluoride - Alkyl halide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthyridines. These are compounds containing a naphthyridine moiety, a naphthalene in which a carbon atom has been replaced by a nitrogen in each of the two rings. The naphthyridine skeleton can also be described as an assembly two fused pyridine rings, which do not share their 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