Synonym
SB-414796; SB 414796; SB414796;
IUPAC/Chemical Name
3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-((1r,4r)-4-(2-(7-(methylsulfonyl)-1,2,4,5-tetrahydro-3H-benzo[d]azepin-3-yl)ethyl)cyclohexyl)benzamide
InChi Key
ZHQUFEJLPBTKSM-WVPZODRTSA-N
InChi Code
InChI=1S/C29H36N4O4S/c1-20-30-28(32-37-20)24-4-3-5-25(18-24)29(34)31-26-9-6-21(7-10-26)12-15-33-16-13-22-8-11-27(38(2,35)36)19-23(22)14-17-33/h3-5,8,11,18-19,21,26H,6-7,9-10,12-17H2,1-2H3,(H,31,34)/t21-,26-
SMILES Code
CS(C1=CC2=C(CCN(CC[C@H]3CC[C@H](NC(C4=CC=CC(C5=NOC(C)=N5)=C4)=O)CC3)CC2)C=C1)(=O)=O
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
Preparing Stock Solutions
The following data is based on the
product
molecular weight
536.69
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: Lacroix LP, Ceolin L, Zocchi A, Varnier G, Garzotti M, Curcuruto O, Heidbreder CA. Selective dopamine D3 receptor antagonists enhance cortical acetylcholine levels measured with high-performance liquid chromatography/tandem mass spectrometry without anti-cholinesterases. J Neurosci Methods. 2006 Oct 15;157(1):25-31. Epub 2006 May 11. PubMed PMID: 16697046.
2: Heidbreder CA, Gardner EL, Xi ZX, Thanos PK, Mugnaini M, Hagan JJ, Ashby CR Jr. The role of central dopamine D3 receptors in drug addiction: a review of pharmacological evidence. Brain Res Brain Res Rev. 2005 Jul;49(1):77-105. Review. PubMed PMID: 15960988; PubMed Central PMCID: PMC3732040.
3: Macdonald GJ, Branch CL, Hadley MS, Johnson CN, Nash DJ, Smith AB, Stemp G, Thewlis KM, Vong AK, Austin NE, Jeffrey P, Winborn KY, Boyfield I, Hagan JJ, Middlemiss DN, Reavill C, Riley GJ, Watson JM, Wood M, Parker SG, Ashby CR Jr. Design and synthesis of trans-3-(2-(4-((3-(3-(5-methyl-1,2,4-oxadiazolyl))- phenyl)carboxamido)cyclohexyl)ethyl)-7-methylsulfonyl-2,3,4,5-tetrahydro-1H-3-ben zazepine (SB-414796): a potent and selective dopamine D3 receptor antagonist. J Med Chem. 2003 Nov 6;46(23):4952-64. PubMed PMID: 14584946.
