Berupipam hemifumarate | dopamine antagonist | D1 receptor | CAS#172940-14-6

MedKoo Cat#: 127274 | Name: Berupipam hemifumarate

Description:

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

Berupipam (also known as NNC 22-0010), a dopamine antagonist with a high affinity and selectivity for D1 receptor has been studied for patients with psychotic disorders.

Chemical Structure

Berupipam hemifumarate

CAS#172940-14-6 (fumarate)

Theoretical Analysis

MedKoo Cat#: 127274

Name: Berupipam hemifumarate

CAS#: 172940-14-6 (fumarate)

Chemical Formula: C42H42Br2Cl2N2O8

Exact Mass: 930.0685

Molecular Weight: 933.51

Elemental Analysis: C, 54.04; H, 4.54; Br, 17.12; Cl, 7.59; N, 3.00; O, 13.71

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

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Related CAS #

150490-85-0 (free base) 172940-14-6 (fumarate) 172940-15-7 (tartrate)

Synonym

Berupipam; NNC 22-0010; NNC-22-0010; NNC22-0010; NNC 220010; NNC-220010; NNC220010;

IUPAC/Chemical Name

(S)-5-(5-bromo-2,3-dihydrobenzofuran-7-yl)-8-chloro-3-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ol hemifumarate

InChi Key

KAAMHRZPUYCDSD-ZMGYVUCRSA-N

InChi Code

InChI=1S/2C19H19BrClNO2.C4H4O4/c2*1-22-4-2-11-7-17(21)18(23)9-14(11)16(10-22)15-8-13(20)6-12-3-5-24-19(12)15;5-3(6)1-2-4(7)8/h2*6-9,16,23H,2-5,10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*16-;/m00./s1

SMILES Code

OC(=O)\C=C\C(O)=O.CN1CCC2=C(C=C(O)C(Cl)=C2)[C@H](C1)C3=C4OCCC4=CC(Br)=C3.CN5CCC6=C(C=C(O)C(Cl)=C6)[C@H](C5)C7=C8OCCC8=CC(Br)=C7

Appearance

To be determined

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

To be determined

Shelf Life

>2 years if stored properly

Drug Formulation

To be determined

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 933.51 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.

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. Hansen KT, Stentoft K. Characterization of benzazepine UDP-glucuronosyl-transferases in laboratory animals and man. Xenobiotica. 1995 Jun;25(6):611-22. doi: 10.3109/00498259509061879. PMID: 7483661.