Neladenoson dalanate HCl

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MedKoo CAT#: 596776

CAS#: 1239235-25-6

Description: Neladenoson dalanate HCl is a potent, selective, orally acitve partial adenosine A1 receptor (A1AR) agonist (EC50=0.1 nM) for the treatment of chronic heart failure.


Price and Availability

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Pricing updated 2020-09-28. Prices are subject to change without notice.

Neladenoson dalanate HCl is not in stock, may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to sales@medkoo.com to inquire quote.


Chemical Structure

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Theoretical Analysis

MedKoo Cat#: 596776
Name: Neladenoson dalanate HCl
CAS#: 1239235-25-6
Chemical Formula: C35H35Cl2N7O4S2
Exact Mass:
Molecular Weight: 752.73
Elemental Analysis: C, 55.85; H, 4.69; Cl, 9.42; N, 13.03; O, 8.50; S, 8.52


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


Technical Data

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


References

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.