Synonym
Neladenoson dalanate hydrochloride;
IUPAC/Chemical Name
2-(4-(2-(((2-(4-chlorophenyl)thiazol-4-yl)methyl)thio)-3,5-dicyano-6-(pyrrolidin-1-yl)pyridin-4-yl)phenoxy)ethyl L-alanyl-L-alaninate hydrochloride
InChi Key
CZZKREIGVLUWPU-VROPFNGYSA-N
InChi Code
InChI=1S/C35H34ClN7O4S2.ClH/c1-21(39)32(44)40-22(2)35(45)47-16-15-46-27-11-7-23(8-12-27)30-28(17-37)31(43-13-3-4-14-43)42-34(29(30)18-38)49-20-26-19-48-33(41-26)24-5-9-25(36)10-6-24;/h5-12,19,21-22H,3-4,13-16,20,39H2,1-2H3,(H,40,44);1H/t21-,22-;/m0./s1
SMILES Code
C[C@@H](C(OCCOC1=CC=C(C2=C(C#N)C(SCC3=CSC(C4=CC=C(Cl)C=C4)=N3)=NC(N5CCCC5)=C2C#N)C=C1)=O)NC([C@H](C)N)=O.[H]Cl
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
752.73
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: Meibom D, Albrecht-Küpper B, Diedrichs N, Hübsch W, Kast R, Krämer T, Krenz U, Lerchen HG, Mittendorf J, Nell PG, Süssmeier F, Vakalopoulos A, Zimmermann K. Neladenoson Bialanate Hydrochloride: A Prodrug of a Partial Adenosine A(1) Receptor Agonist for the Chronic Treatment of Heart Diseases. ChemMedChem. 2017 May 22;12(10):728-737. doi: 10.1002/cmdc.201700151. Epub 2017 May 10. PubMed PMID: 28488817.
2: Baltos JA, Vecchio EA, Harris MA, Qin CX, Ritchie RH, Christopoulos A, White PJ, May LT. Capadenoson, a clinically trialed partial adenosine A(1) receptor agonist, can stimulate adenosine A(2B) receptor biased agonism. Biochem Pharmacol. 2017 Jul 1;135:79-89. doi: 10.1016/j.bcp.2017.03.014. Epub 2017 Mar 23. PubMed PMID: 28344125.
3: Dinh W, Albrecht-Küpper B, Gheorghiade M, Voors AA, van der Laan M, Sabbah HN. Partial Adenosine A1 Agonist in Heart Failure. Handb Exp Pharmacol. 2017;243:177-203. doi: 10.1007/164_2016_83. Review. PubMed PMID: 27770217.
4: Voors AA, Düngen HD, Senni M, Nodari S, Agostoni P, Ponikowski P, Bax JJ, Butler J, Kim RJ, Dorhout B, Dinh W, Gheorghiade M. Safety and Tolerability of Neladenoson Bialanate, a Novel Oral Partial Adenosine A1 Receptor Agonist, in Patients With Chronic Heart Failure. J Clin Pharmacol. 2017 Apr;57(4):440-451. doi: 10.1002/jcph.828. Epub 2016 Nov 9. PubMed PMID: 27624622.
