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SML2254

Sigma-Aldrich

J-113397

≥98% (HPLC)

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Synonym(s):
1-[(3R,4R)-1-(Cyclooctylmethyl)-3-(hydroxymethyl)-4-piperidinyl]-3-ethyl-1,3-dihydro-2H-benzimidazol-2-one
Empirical Formula (Hill Notation):
C24H37N3O2
CAS Number:
256640-45-6
Molecular Weight:
399.57
MDL number:
MFCD04113003
UNSPSC Code:
12352200
NACRES:
NA.77

Assay

≥98% (HPLC)

form

powder

optical activity

[α]/D +7 to +10°, c = 1 in isopropanol

storage condition

desiccated

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

room temp

SMILES string

CCN1C2=CC=CC=C2N([C@H]3[C@H](CO)CN(CC4CCCCCCC4)CC3)C1=O

InChI

1S/C24H37N3O2/c1-2-26-22-12-8-9-13-23(22)27(24(26)29)21-14-15-25(17-20(21)18-28)16-19-10-6-4-3-5-7-11-19/h8-9,12-13,19-21,28H,2-7,10-11,14-18H2,1H3/t20-,21+/m0/s1

InChI key

MBGVUMXBUGIIBQ-LEWJYISDSA-N

Biochem/physiol Actions

J-113397 is an antagonist of NOP, the 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 κ-opioid receptors.

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Certificates of Analysis (COA)

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S Ozaki et al.
European journal of pharmacology, 387(3), R17-R18 (2000-01-29)
We discovered a potent nociceptin/orphanin FQ receptor (ORL1) receptor antagonist, J-113397 (1-[(3R, 4R)-1-cyclooctylmethyl-3-hydroxymethyl-4-piperidyl]-3-ethyl-1, 3-dihydro-2H-benzimidazol-2-one). J-113397 inhibited [125I][Tyr(14)]nociceptin binding to Chinese hamster ovary (CHO) cells expressing ORL1 receptor in a dose-dependent manner (IC(50); 2. 3 nM), but showed 600-fold or less
Raymond F Genovese et al.
Behavioural pharmacology, 28(7), 521-530 (2017-07-14)
The nociceptin/orphanin FQ peptide (NOP) receptor is believed to have an integral modulatory function in the stress response system. We evaluated the highly selective NOP antagonist J-113397 (7.5 and 20.0 mg/kg), using a predator exposure in which rats were exposed to
Klaus Linz et al.
Anesthesiology, 126(4), 708-715 (2017-03-16)
Cebranopadol is a first-in-class analgesic with agonist activity at classic opioid peptide receptors and the nociceptin/orphanin FQ peptide receptor. The authors compared the antinociceptive and respiratory depressant effects of cebranopadol and the classic opioid fentanyl and used selective antagonists to

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