BAVISANT DIHYDROCHLORIDE

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 Search

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

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

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/22519922 | https://www.pmlive.com/pharma_news/benevolentai_raises_$115m_to_fund_drug_development_1232653?SQ_DESIGN_NAME=2

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

Targets

Primary Target	Pharmacology	Condition	Potency
Histamine H3 receptor 44 Target ID: CHEMBL264 Sources: https://www.pharmacodia.com/yaodu/html/v1/chemicals/cc5ddbc0894f9b00110f5f4f29f8574a.html \| https://adisinsight.springer.com/drugs/800031762 \| https://www.medchemexpress.com/bavisant.html	Antagonist 2778

PubMed

Title	Date	PubMed
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	21634396

Patents

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 `Fri Dec 15 16:32:03 UTC 2023` Edited by `admin` on `Fri Dec 15 16:32:03 UTC 2023`
Record UNII	C1H7H5X3RE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BAVISANT DIHYDROCHLORIDE

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

Common Name

English

BAVISANT DIHYDROCHLORIDE [USAN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C47795