| Identification | Back Directory | [Name]
1-((3R,4R)-1-(cyclooctylmethyl)-3-(hydroxymethyl)piperidin-4-yl)-3-ethyl-1,3-dihydro-2H-benzo[d]imidazol-2-one | [CAS]
256640-45-6 | [Synonyms]
J-113397 >=98% (HPLC)
1-[(3R,4R)-1-(cyclooctylmethyl)-3-(hydroxymethyl)piperidin-4-yl]-3-ethylbenzimidazol-2-one
2H-Benzimidazol-2-one, 1-[(3R,4R)-1-(cyclooctylmethyl)-3-(hydroxymethyl)-4-piperidinyl]-3-ethyl-1,3-dihydro-
1-((3R,4R)-1-(cyclooctylmethyl)-3-(hydroxymethyl)piperidin-4-yl)-3-ethyl-1,3-dihydro-2H-benzo[d]imidazol-2-one | [Molecular Formula]
C24H37N3O2 | [MDL Number]
MFCD04113003 | [MOL File]
256640-45-6.mol | [Molecular Weight]
399.57 |
| Chemical Properties | Back Directory | [Melting point ]
145-145.5 °C(Solv: ethyl acetate (141-78-6)) | [Boiling point ]
518.5±43.0 °C(Predicted) | [density ]
1.109±0.06 g/cm3(Predicted) | [storage temp. ]
room temp | [solubility ]
DMSO: 2mg/mL, clear | [form ]
Solid | [pka]
14.93±0.10(Predicted) | [color ]
White to off-white | [Optical Rotation]
[α]/D +7 to +10°, c =1 in isopropanol |
| Hazard Information | Back Directory | [Uses]
J-113397 is the first potent and selective nonpeptidyl ORL1 receptor antagonist (Ki: cloned human ORL1=1.8 nM) without any agonistic effects on other opioid receptors[1]. | [Biological Activity]
J-113397 is an antagonist of NOPthe nociceptin/orphanin FQ (N/OFQ) receptor. J-113397 exhibited an IC50 value of 2.3 nM in Chinese hamster ovary (CHO) cells expressing ORL1 receptor showed with 600-fold or less affinity for μ-δ- and K-opioid receptors. | [in vivo]
J-113397 (0-30 mg/kg; subcutaneously (s.c.); once) dose-dependently inhibits hyperalgesia elicited by intracerebroventricular (i.c.v.) administration of Nociceptin.html" class="link-product" target="_blank">NociceptinNociceptin/orphanin FQ (HY-P0183) in a tail-flick test with mice[1]. | Animal Model: | Male ICR mice (15–25 g)[1] | | Dosage: | 0, 3, 10, 30 mg/kg | | Administration: | Subcutaneously (s.c.), 10 min prior to administering 0.1 nmol nociceptin/orphanin FQ to the mice | | Result: | Dose-dependently inhibited hyperalgesia elicited by intracerebroventricular (i.c.v.) administration of nociceptin/orphanin FQ in a tail-flick test with mice. |
| [IC 50]
NOP Receptor/ORL1: 1.8 ± 0.24 nM (Ki); κ Opioid Receptor/KOR: 640 ± 87 nM (Ki); μ Opioid Receptor/MOR: 1000 ± 160 nM (Ki); δ Opioid Receptor/DOR: >10000 nM (Ki) | [References]
[1] Ozaki S, et al. In vitro and in vivo pharmacological characterization of J-113397, a potent and selective non-peptidyl ORL1 receptor antagonist. Eur J Pharmacol. 2000 Aug 18;402(1-2):45-53. DOI:10.1016/s0014-2999(00)00520-3 |
|
| Company Name: |
Energy Chemical
|
| Tel: |
021-58432009 400-005-6266 |
| Website: |
http://www.energy-chemical.com |
| Company Name: |
Merck KGaA
|
| Tel: |
21-20338288 |
| Website: |
www.sigmaaldrich.cn |
|