Bavisant

CAT: 0804-HY-14880-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-14880-01Size:5 mg

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Description

Bavisant (JNJ-31001074) is an orally active, potent, brain-penetrating and highly selective antagonist of the histamine H3 receptor. Bavisant can be used for attention-deficit hyperactivity disorder (ADHD) research[1][2][3].

CAS Number

929622-08-2

Product Name Alternative

JNJ-31001074

UNSPSC

12352005

Target

Histamine Receptor

Type

Reference compound

Related Pathways

GPCR/G Protein; Immunology/Inflammation; Neuronal Signaling

Applications

Metabolism-protein/nucleotide metabolism

Field of Research

Neurological Disease; Endocrinology

Assay Protocol

https://www.medchemexpress.com/bavisant.html

Purity

96.60

Solubility

DMSO : 100 mg/mL (ultrasonic)

Smiles

O=C(N1CCN(C2CC2)CC1)C(C=C3)=CC=C3CN4CCOCC4

Molecular Formula

C19H27N3O2

Molecular Weight

329.44

References & Citations

[1]Hudkins RL, et al. 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. J Med Chem. 2011 Jul 14;54 (13) :4781-92.|[2]Weisler RH, et al. Randomized clinical study of a histamine H3 receptor antagonist for the treatment of adults with attention-deficit hyperactivity disorder. CNS Drugs. 2012 May 1;26 (5) :421-34.|[3]Ghoshal A, et al. Identification of novel β-lactams and pyrrolidinone derivatives as selective Histamine-3 receptor (H3R) modulators as possible anti-obesity agents. Eur J Med Chem. 2018 May 25;152:148-159. |[4]Ghamari N, et al. Histamine H3 receptor antagonists/inverse agonists: Where do they go? Pharmacol Ther. 2019 Aug;200:69-84.

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Reference compound1

Clinical Information

Phase 2

Isoform

H3 Receptor

Chemical Information

Bavisant

Bavisant has been used in trials studying the basic science and treatment of Alcoholism, Pharmacokinetics, Drug Interactions, Attention Deficit Hyperactivity Disorder, and Attention Deficit Disorders With Hyperactivity.

CAS Number	929622-08-2
PubChem CID	16061509
IUPAC Name	(4-cyclopropylpiperazin-1-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
Molecular Formula	C19H27N3O2
Molecular Weight	329.4
XLogP	1.2
Topological Polar Surface Area	36
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	24
Formal Charge	0
Complexity	418

SMILES

C1CC1N2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4CCOCC4

InChI

InChI=1S/C19H27N3O2/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

InChIKey

BGBVSGSIXIIREO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 929622-08-2

CID: 16061509

Formula: C19H27N3O2

MW: 329.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	329.4
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	329.21032711
Monoisotopic Mass	329.21032711
Topological Polar Surface Area	36 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	418
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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BUP12735-01	Bavisant
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A21300-50	Bavisant 50mg
A21300-1	Bavisant 1mg
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A21300-10	Bavisant 10mg
A21300-25	Bavisant 25mg
A21300-5	Bavisant 5mg
MBS3840776-01	Bavisant dihydrochloride hydrate
A15015-10	Bavisant dihydrochloride 10mg

Bavisant

Chemical Information

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