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SML2254

J-113397

≥98% (HPLC)

Synonym(s):

1-[(3R,4R)-1-(Cyclooctylmethyl)-3-(hydroxymethyl)-4-piperidinyl]-3-ethyl-1,3-dihydro-2H-benzimidazol-2-one

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About This Item

Empirical Formula (Hill Notation):
C24H37N3O2
CAS Number:
256640-45-6
Molecular Weight:
399.57
UNSPSC Code:
12352200
NACRES:
NA.77
MDL number:
MFCD04113003
Assay:
≥98% (HPLC)
Form:
powder
Storage condition:
desiccated
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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

Antagonist of NOP, the nociceptin/orphanin FQ (N/OFQ) receptor.
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.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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