JNJ-10397049

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H20Br2N2O3
Molecular Weight	484.182
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1(C)OC[C@H](NC(=O)NC2=CC=C(Br)C=C2Br)[C@@H](O1)C3=CC=CC=C3

InChI

InChIKey=RBKIJGLHFFQHBE-IRXDYDNUSA-N

InChI=1S/C19H20Br2N2O3/c1-19(2)25-11-16(17(26-19)12-6-4-3-5-7-12)23-18(24)22-15-9-8-13(20)10-14(15)21/h3-10,16-17H,11H2,1-2H3,(H2,22,23,24)/t16-,17-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C19H20Br2N2O3
Molecular Weight	484.182
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/15261275
Curator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/21181123 | https://www.ncbi.nlm.nih.gov/pubmed/17638707 | https://www.ncbi.nlm.nih.gov/pubmed/24592208 | https://www.ncbi.nlm.nih.gov/pubmed/19363060 | https://www.ncbi.nlm.nih.gov/pubmed/17638707

JNJ-10397049 is a potent and selective antagonist of the orexin-2 receptor. JNJ-10397049 regulated ovulation, and sleep promotion. JNJ-10397049 was reported to be effective in reducing the reinforcing effects of ethanol.

CNS Activity

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Orexin receptor 2 8 Target ID: CHEMBL4792 Sources: https://www.ncbi.nlm.nih.gov/pubmed/15261275 \| https://www.ncbi.nlm.nih.gov/pubmed/22796453	Antagonist 2778		8.3 null [pKi]
Orexin receptor 1 6 Target ID: CHEMBL5113 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22796453	Antagonist 2778		5.18 null [pKi]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Alcohol abuse 8 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21181123	Primary		Basic research	Unknown Approved Use Unknown

PubMed

Title	Date	PubMed
Both orexin receptors are expressed in rat ovaries and fluctuate with the estrous cycle: effects of orexin receptor antagonists on gonadotropins and ovulation.	2007 Oct	17638707
Functional and binding kinetic studies make a distinction between OX1 and OX2 orexin receptor antagonists.	2012 Oct 5	22796453

Patents

Sample Use Guides

In Vivo Use Guide

JNJ-10397049 (1, 3, and 10 mg/kg, sc) dose-dependently reduced ethanol self-administration without changing saccharin self-administration, dopamine levels, or withdrawal signs in rats. Treatment with JNJ-10397049 (10 mg/kg, sc) attenuated the acquisition, expression, and reinstatement of ethanol conditioned place preference and ethanol-induced hyperactivity in mice.

Route of Administration: Other

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:36:14 UTC 2023` Edited by `admin` on `Sat Dec 16 08:36:14 UTC 2023`
Record UNII	1B419P24AV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

JNJ-10397049

Common Name

English

UREA, N-(2,4-DIBROMOPHENYL)-N'-((4S,5S)-2,2-DIMETHYL-4-PHENYL-1,3-DIOXAN-5-YL)-

Systematic Name

English

1-(2,4-DIBROMOPHENYL)-3-((4S,5S)-2,2-DIMETHYL-4-PHENYL-(1,3)DIOXAN-5-YL)UREA

Systematic Name

English

Code System Code Type Description

CAS

708275-58-5