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Details

Stereochemistry ACHIRAL
Molecular Formula C19H27N3O2.2ClH.H2O
Molecular Weight 420.374
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BAVISANT DIHYDROCHLORIDE

SMILES

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

InChI

InChIKey=BLFBQJUVAGIUBL-UHFFFAOYSA-N
InChI=1S/C19H27N3O2.2ClH.H2O/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;1H2

HIDE SMILES / InChI

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
139594
Targets

Targets

Primary TargetPharmacologyConditionPotency
Antagonist
2778
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
Name Type Language
BAVISANT DIHYDROCHLORIDE
USAN  
USAN  
Official Name English
METHANONE, (4-CYCLOPROPYL-1-PIPERAZINYL)(4-(4-MORPHOLINYLMETHYL)PHENYL)-, HYDROCHLORIDE, HYDRATE (1:2:1)
Systematic Name English
Bavisant dihydrochloride monohydrate [WHO-DD]
Common Name English
(4-Cyclopropylpiperazin-1-yl)[4-(morpholin-4-ylmethyl)phenyl]methanone dihydrochloride monohydrate
Systematic Name English
BEN-2001
Code English
JNJ-31001074-AAC
Code English
BAVISANT DIHYDROCHLORIDE MONOHYDRATE
WHO-DD  
Common Name English
BAVISANT DIHYDROCHLORIDE [USAN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C47795
Created by admin on Fri Dec 15 16:32:03 GMT 2023 , Edited by admin on Fri Dec 15 16:32:03 GMT 2023
Code System Code Type Description
CAS
1103522-80-0
Created by admin on Fri Dec 15 16:32:03 GMT 2023 , Edited by admin on Fri Dec 15 16:32:03 GMT 2023
PRIMARY
FDA UNII
C1H7H5X3RE
Created by admin on Fri Dec 15 16:32:03 GMT 2023 , Edited by admin on Fri Dec 15 16:32:03 GMT 2023
PRIMARY
SMS_ID
300000042590
Created by admin on Fri Dec 15 16:32:03 GMT 2023 , Edited by admin on Fri Dec 15 16:32:03 GMT 2023
PRIMARY
ChEMBL
CHEMBL2103862
Created by admin on Fri Dec 15 16:32:03 GMT 2023 , Edited by admin on Fri Dec 15 16:32:03 GMT 2023
PRIMARY
PUBCHEM
56843503
Created by admin on Fri Dec 15 16:32:03 GMT 2023 , Edited by admin on Fri Dec 15 16:32:03 GMT 2023
PRIMARY
NCI_THESAURUS
C142947
Created by admin on Fri Dec 15 16:32:03 GMT 2023 , Edited by admin on Fri Dec 15 16:32:03 GMT 2023
PRIMARY
USAN
XX-117
Created by admin on Fri Dec 15 16:32:03 GMT 2023 , Edited by admin on Fri Dec 15 16:32:03 GMT 2023
PRIMARY
ACTIVE MOIETY
Structure of BAVISANT
NIH
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