Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C21H22FN7O |
| Molecular Weight | 407.4441 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]12CN(C[C@]1([H])CN(C2)C3=NC(C)=CC(C)=N3)C(=O)C4=C(C=CC=C4F)N5N=CC=N5
InChI
InChIKey=SQOCEMCKYDVLMM-IYBDPMFKSA-N
InChI=1S/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)19-17(22)4-3-5-18(19)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+
| Molecular Formula | C21H22FN7O |
| Molecular Weight | 407.4441 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
2-(4,6-DIMETHYLPYRIMIDIN-2-YL)-5-((2-FLUORO-6-(2H-1,2,3-TRIAZOL-2-YL)PHENYL)CARBONYL)OCTAHYDROPYRROLO(3,4-C)PYRROLE (Seltorexant, MIN 202), a small molecule, selective orexin receptor type-2 antagonist, is being developed by Minerva Neurosciences and Janssen Research & Development for the treatment of insomnia and major depressive disorder. Seltorexant has shown high in vitro affinity
(affinity pKi =8.0 and 6.1 for OX2R and OX1R respectively) for the
human OX2R and approximates two logs selectivity ratio versus
its affinity for the OX1R. Seltorexant demonstrated a dose-dependent normalization of sleep and a trend towards improvement of subjective depressive symptoms in antidepressant-treated MDD
patients with residual insomnia. Additionally, seltorexant’s
favorable PK profile as a potential sedative-hypnotic drug was
confirmed in a MDD population and did not demonstrate unacceptable adverse events or unwanted next-day CNS effects. Seltorexant is in phase II clinical trials for both insomnia and MDD.
Originator
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| A randomized Phase 2 study to evaluate the orexin-2 receptor antagonist seltorexant in individuals with insomnia without psychiatric comorbidity. | 2018 Jun |
|
| The selective orexin-2 receptor antagonist seltorexant improves sleep: An exploratory double-blind, placebo controlled, crossover study in antidepressant-treated major depressive disorder patients with persistent insomnia. | 2019 Feb |
Sample Use Guides
Twenty male and female patients received a single dose of 10, 20, 40 mg seltorexant and placebo with a washout period of seven days in a double-blind four-way crossover study.
Route of Administration:
Oral
| Substance Class |
Chemical
Created
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| Record UNII |
AIS8N3O50B
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Validated (UNII)
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C265
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1293281-49-8
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SELTOREXANT
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PRIMARY | MIN-202 (also known as JNJ-42847922, JNJ-922) is a selective, small-molecule antagonist of the OX2 receptor that is under development by Minerva Neurosciences and Johnson & Johnson's Janssen Pharmaceutica for the treatment of insomnia and major depressive disorder (MDD). As of December 2015, it is in phase II clinical trials for both insomnia and MDD. The chemical structure of MIN-202 has yet to be disclosed. | ||
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100000174653
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ACTIVE MOIETY |
Drug: JNJ 42847922(Primary); Indication: Major depressive disorder; Focus: Adverse reaction; Sponsor: Janssen-Cilag; Most Recent Events: 21 Jan 2015 Preliminary results published in Minerva Neurosciences media release., 14 Jan 2015 Status changed from recruiting to completed as reported by ClinicalTrials.gov record., 16 Oct 2014 Planned End Date changed from 1 Sep 2014 to 1 Nov 2014 as reported by ClinicalTrials.gov record.
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