1-benzyl-N-pentyl-1,4-dihydroquinolin-4-imine hydrochloride

• ChemBase ID: 154559
• Molecular Formular: C21H25ClN2
• Molecular Mass: 340.8896
• Monoisotopic Mass: 340.17062649
• SMILES: CCCCC/N=c/1\ccn(c2c1cccc2)Cc1ccccc1.Cl
• Canonical SMILES: CCCCC/N=c/1\ccn(c2c1cccc2)Cc1ccccc1.Cl
• InChI: InChI=1S/C21H24N2.ClH/c1-2-3-9-15-22-20-14-16-23(17-18-10-5-4-6-11-18)21-13-8-7-12-19(20)21;/h4-8,10-14,16H,2-3,9,15,17H2,1H3;1H
• InChIKey: JIRISCAPZWLWCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-N-pentyl-1,4-dihydroquinolin-4-imine hydrochloride
• IUPAC Traditional name: 1-benzyl-N-pentylquinolin-4-imine hydrochloride
• Synonyms: N-[1-(phenylmethyl)-4(1H)-quinolinylidene]-1-pentanamine hydrochloride; CP-339818

Database IDs

• CAS Number: 478341-55-8
• MDL Number: MFCD09878238
• PubChem SID: 162248697
• PubChem CID: 20761468

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.103051
• LogD (pH = 7.4): 2.3086607
• Log P: 5.5151405
• Molar Refractivity: 99.2945 cm^3
• Polarizability: 37.462925 Å^3
• Polar Surface Area: 15.6 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: DMSO: >10 mg/mL
• Apperance: white to off-white powder

Safety Information

• German water hazard class: 3
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C21H24N2 · HCl

DETAILS

Sigma Aldrich - C2499

Biochem/physiol Actions
CP-338818 blocks both Kv1.3 and Kv1.4. Kv1.3 is expressed in brain and in effector memory T (Tem) cells, and Kv1.4 is expressed in brain cells. Kv1.3 and Kv1.4 are members of the Shaker family of voltage-gated potassium channels. Both channels are involved in setting the membrane potential of neurons. In addition, Kv1.3 maintains the membrane potential for T memory cells and is up-regulated upon T cell activation, contributing to multiple immune processes and disorders. Blockers of Kv1.3 have long been sought for therapeutic benefit, and they are also valuable tools for studying the immune system. CP-339818 is valuable for immune system studies, where the absence of Kv1.4 makes it functionally selective for Kv1.3, and it has shown suppression of T cell activation. CP-339818 is also valuable for the study of Kv1.4 function.