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Details

Stereochemistry ACHIRAL
Molecular Formula C19H27N3O2.2ClH
Molecular Weight 402.358
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BAVISANT DIHYDROCHLORIDE ANHYDROUS

SMILES

Cl.Cl.O=C(N1CCN(CC1)C2CC2)C3=CC=C(CN4CCOCC4)C=C3

InChI

InChIKey=PBVFXCXXVLBYKF-UHFFFAOYSA-N
InChI=1S/C19H27N3O2.2ClH/c23-19(22-9-7-21(8-10-22)18-5-6-18)17-3-1-16(2-4-17)15-20-11-13-24-14-12-20;;/h1-4,18H,5-15H2;2*1H

HIDE SMILES / InChI
Molecular Formula C19H27N3O2
Molecular Weight 329.4366
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

Bavisant (also known as JNJ-31001074 or BEN-2001), a highly selective, active antagonist of the human H3 receptor that was invented by Johnson & Johnson for the treatment of attention-deficit hyperactivity disorder (ADHD). However, the result of clinical trials did not display significant clinical effectiveness in the treatment of adults with ADHD. BenevolentAI has started phase II clinical trials where investigated bavisant for ameliorating the excessive daytime sleepiness in patients with Parkinson’s disease, using one of the drug side effects is dose-dependent insomnia.

Originator

Approval Year

Unknown
127998
Targets

Targets

Primary TargetPharmacologyConditionPotency
Antagonist
2737
PubMed

PubMed

TitleDatePubMed
Discovery and characterization of 6-{4-[3-(R)-2-methylpyrrolidin-1-yl)propoxy]phenyl}-2H-pyridazin-3-one (CEP-26401, irdabisant): a potent, selective histamine H3 receptor inverse agonist.
2011 Jul 14
Patents

Patents

07687499
3
07728129
3
07795426
3
07893257
3
07910582
3
08680273
3
20070066821
3
20070129351
3
20070197508
3
20080171870
3
20100130485
3

Sample Use Guides

In Vivo Use Guide
Participants were randomly assigned equally to one of six treatment groups: placebo, bavisant 1 mg/day, 3 mg/day or 10 mg/day, atomoxetine hydrochloride 80 mg/day or osmotic-release oral system (OROS) methylphenidate hydrochloride 54 mg/day.
Route of Administration: Oral
Substance Class Chemical
Created
by admin
on Sat Dec 17 02:29:14 UTC 2022
Edited
by admin
on Sat Dec 17 02:29:14 UTC 2022
Record UNII
1B5560RN9F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BAVISANT DIHYDROCHLORIDE ANHYDROUS
Common Name English
METHANONE, (4-CYCLOPROPYL-1-PIPERAZINYL)(4-(4-MORPHOLINYLMETHYL)PHENYL)-, HYDROCHLORIDE (1:2)
Systematic Name English
(4-CYCLOPROPYLPIPERAZIN-1-YL)(4-(MORPHOLIN-4-YLMETHYL)PHENYL)METHANONE DIHYDROCHLORIDE
Systematic Name English
Bavisant dihydrochloride [WHO-DD]
Common Name English
Code System Code Type Description
CAS
929622-09-3
Created by admin on Sat Dec 17 02:29:14 UTC 2022 , Edited by admin on Sat Dec 17 02:29:14 UTC 2022
PRIMARY
FDA UNII
1B5560RN9F
Created by admin on Sat Dec 17 02:29:14 UTC 2022 , Edited by admin on Sat Dec 17 02:29:14 UTC 2022
PRIMARY
PUBCHEM
66712477
Created by admin on Sat Dec 17 02:29:14 UTC 2022 , Edited by admin on Sat Dec 17 02:29:14 UTC 2022
PRIMARY
EPA CompTox
DTXSID00239212
Created by admin on Sat Dec 17 02:29:14 UTC 2022 , Edited by admin on Sat Dec 17 02:29:14 UTC 2022
PRIMARY
Related Record Type Details
Structure of BAVISANT
PARENT -> SALT/SOLVATE
Structure of BAVISANT DIHYDROCHLORIDE
SOLVATE->ANHYDROUS
NIH
NCATS
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