MedKoo Cat#: 596249 | Name: Bavisant HCl hydrate
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

Bavisant, also known as JNJ-31001074, is a highly selective, orally active antagonist of the human H3 receptor with a novel mechanism of action, involving wakefulness and cognition, with potential as a treatment for ADHD. Histamine H3 receptors reside on non-histamine neurons and regulate other neurotransmitters (e.g. acetylcholine, noradrenaline [norepinephrine]) suggesting that H3 antagonists have the potential to improve attention and impulsivity. Research indicates that H3 receptor antagonists due to their novel mechanism of action may have a unique treatment effect offering an important alternative for the treatment of ADHD.

Chemical Structure

Bavisant HCl hydrate
Bavisant HCl hydrate
CAS#1103522-80-0 (HCl hydrate)

Theoretical Analysis

MedKoo Cat#: 596249

Name: Bavisant HCl hydrate

CAS#: 1103522-80-0 (HCl hydrate)

Chemical Formula: C19H31Cl2N3O3

Exact Mass: 419.1742

Molecular Weight: 420.37

Elemental Analysis: C, 54.29; H, 7.43; Cl, 16.87; N, 10.00; O, 11.42

Price and Availability

Size Price Availability Quantity
10mg USD 250.00 2 Weeks
25mg USD 450.00 2 Weeks
100mg USD 1,250.00 2 Weeks
1g USD 3,850.00 2 Weeks
2g USD 6,250.00 2 Weeks
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Synonym
Bavisant dihydrochloride; JNJ-31001074-AAC; JNJ 31001074-AAC; JNJ31001074-AAC;
IUPAC/Chemical Name
(4-cyclopropylpiperazin-1-yl)(4-(morpholinomethyl)phenyl)methanone dihydrochloride hydrate
InChi Key
BLFBQJUVAGIUBL-UHFFFAOYSA-N
InChi Code
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
SMILES Code
O=C(N1CCN(C2CC2)CC1)C3=CC=C(CN4CCOCC4)C=C3.[H]Cl.[H]Cl.[H]O[H]
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 420.37 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Weisler RH, Pandina GJ, Daly EJ, Cooper K, Gassmann-Mayer C; 31001074-ATT2001 Study Investigators. 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. doi: 10.2165/11631990-000000000-00000. PubMed PMID: 22519922.