Synonym
ACT280778; ACT-280778; ACT 280778
IUPAC/Chemical Name
(1R,2R,4R)-2-(2-((3-(4,7-Dimethoxy-1H-benzo[d]imidazol-2-yl)propyl)(methyl)amino)ethyl)-5-phenylbicyclo[2.2.2]oct-5-en-2-yl Isobutyrate bis-maleate
InChi Key
XCOMDWDKJAXYDF-YCAFZAMQSA-N
InChi Code
InChI=1S/C33H43N3O4.2C4H4O4/c1-22(2)32(37)40-33(21-24-13-14-25(33)20-26(24)23-10-7-6-8-11-23)17-19-36(3)18-9-12-29-34-30-27(38-4)15-16-28(39-5)31(30)35-29;2*5-3(6)1-2-4(7)8/h6-8,10-11,15-16,20,22,24-25H,9,12-14,17-19,21H2,1-5H3,(H,34,35);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-/t24-,25-,33+;;/m1../s1
SMILES Code
O=C(O)/C=C\C(O)=O.O=C(O)/C=C\C(O)=O.CC(C)C(O[C@]1(CCN(CCCC2=NC3=C(OC)C=CC(OC)=C3N2)C)[C@@](CC4)([H])C=C(C5=CC=CC=C5)[C@@]4([H])C1)=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
>3 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
777.87
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: Abele S, Funel JA, Schmidt G, Moessner C, Schwaninger M, Marti R. Daring the Challenge and Thinking Big: The Value of Early Process R&D. Chimia (Aarau). 2016;70(7-8):502-11. doi: 10.2533/chimia.2016.502. Erratum in: Chimia (Aarau). 2016 Sep;70(9):634. PubMed PMID: 27561612.
2: Dingemanse J, Otasevic P, Shakeri-Nejad K, Klainman E, Putnikovic B, Kracker H, Mueller MS, Zimlichman R. Efficacy and safety of the dual L- and T-type calcium channel blocker, ACT-280778: a proof-of-concept study in patients with mild-to-moderate essential hypertension. J Hum Hypertens. 2015 Apr;29(4):229-35. doi: 10.1038/jhh.2014.79. Epub 2014 Sep 18. PubMed PMID: 25231512.
3: Mueller MS, Shakeri-Nejad K, Gutierrez MM, Krause A, Täubel J, Sanderson B, Dingemanse J. Tolerability and pharmacokinetics of ACT-280778, a novel nondihydropyridine dual L/T-type calcium channel blocker: early clinical studies in healthy male subjects using adaptive designs. J Cardiovasc Pharmacol. 2014 Feb;63(2):120-31. doi: 10.1097/FJC.0000000000000030. PubMed PMID: 24126567.
