CAS 256640-45-6

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

Description:

The chemical substance known as 1-[(3R,4R)-1-(Cyclooctylmethyl)-3-(hydroxymethyl)-4-piperidinyl]-3-ethyl-1,3-dihydro-2H-benzimidazol-2-one, with the CAS number 256640-45-6, is a complex organic compound characterized by its unique structural features. It contains a benzimidazole core, which is fused with a piperidine ring that has substituents including a cyclooctylmethyl group and a hydroxymethyl group. This compound exhibits potential biological activity, often investigated for its pharmacological properties. The presence of the piperidine moiety suggests possible interactions with biological targets, making it of interest in medicinal chemistry. Additionally, the stereochemistry indicated by the (3R,4R) configuration may influence its biological activity and binding affinity. The compound's solubility, stability, and reactivity are influenced by its functional groups and overall molecular structure, which are critical for its application in research and development. As with many organic compounds, safety and handling precautions are essential when working with this substance in a laboratory setting.

Formula: C₂₄H₃₇N₃O₂

InChI: 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: InChIKey=MBGVUMXBUGIIBQ-LEWJYISDSA-N

SMILES: O=C1N(C=2C(N1CC)=CC=CC2)[C@H]3[C@H](CO)CN(CC4CCCCCCC4)CC3

Synonyms:

• 2H-Benzimidazol-2-one, 1-[(3R,4R)-1-(cyclooctylmethyl)-3-(hydroxymethyl)-4-piperidinyl]-3-ethyl-1,3-dihydro-
• CompB
• J 113397
• 1-[(3R,4R)-1-(Cyclooctylmethyl)-3-(hydroxymethyl)-4-piperidinyl]-3-ethyl-1,3-dihydro-2H-benzimidazol-2-one

J-113397

Controlled Product

CAS: 256640-45-6

J-113397 is an opioid receptor antagonist that is a κ-opioid receptor agonist. This compound was synthesized for the first time in 2008 and has been shown to have antinociceptive properties. J-113397 has been found to inhibit locomotor activity and light signal in mice, and antagonizes morphine analgesia in rats. It also has significant pharmacokinetic properties, including rapid absorption after oral administration, high bioavailability, and a short half-life. J-113397 has also been found to have a kinetic energy of 16.8 kcal/mol with a molecular weight of 367.4 g/mol. The drug binds to the κ-opioid receptor with the same affinity as dynorphin A (Ki = 0.2 nM), yet it does not activate this receptor due to its lack of intrinsic activity at this site. J-113397 may be useful as an analgesic for bone cancer or

Formula: C₂₄H₃₇N₃O₂

Purity: Min. 95%

Molecular weight: 399.6 g/mol

Ref: 3D-GKA64045

J-113397

CAS: 256640-45-6

J-113397 is a potent and selective NOP receptor antagonist (IC50 = 2.3 nM).

Formula: C₂₄H₃₇N₃O₂

Purity: 98%

Color and Shape: Solid

Molecular weight: 399.57

Ref: TM-T27649