| Stereochemistry | ABSOLUTE |
| Molecular Formula | C24H37N3O2 |
| Molecular Weight | 399.5695 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCN1C(=O)N([C@@H]2CCN(CC3CCCCCCC3)C[C@H]2CO)C4=C1C=CC=C4
InChI
InChIKey=MBGVUMXBUGIIBQ-LEWJYISDSA-N
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
| Molecular Formula | C24H37N3O2 |
| Molecular Weight | 399.5695 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
J-113397 (ComB) is the first potent and selective small molecule ORL1 antagonist. Merck, in collaboration with Banyu, is developing J-113397 with potential use in the treatment of pain. Preclinical development is underway in Japan, however, no recent development has been reported. In addition to antinociceptive properties J-113397 exerts antiparkinsonian action in animal models.
CNS Activity
Originator
Approval Year
PubMed
Patents
Sample Use Guides
3-30 mg/kg s.c. J-113397 dose-dependently antagonised the nociceptin-induced hyperalgesia in mouse/rat thermal pain models .
0.01-10 mg/kg i.p. J-113397 attenuated haloperidol-induced motor deficits.
Route of Administration:
Other
Under voltage-clamp conditions, bath application of N/OFQ (10 pM-1 microM) resulted in a dose-dependent depression of whole cell currents in neurons of diagonal band of Broca. J-113397 antagonized the N/OFQ response with an IC50value of 8.7 nM.
ORL1 antagonist J-113397 (1 microM) produced no change in membrane current in rat rostral ventromedial medulla (RVM) neurons and abolished the outward current produced by nociceptin (100 nM)
