WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 319553
CAS#: 1239309-58-0 (free base)
Description: Neladenoson dalanate, also known as BAY-1067197, is a potent and selective adenosine A1 receptor agonist , and potentially useful for treatment of cardiovascular diseases.
MedKoo Cat#: 319553
Name: Neladenoson dalanate
CAS#: 1239309-58-0 (free base)
Chemical Formula: C35H34ClN7O4S2
Exact Mass: 715.1802
Molecular Weight: 716.27
Elemental Analysis: C, 58.69; H, 4.78; Cl, 4.95; N, 13.69; O, 8.93; S, 8.95
Neladenoson dalanate is not in stock, but 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.
Related CAS #: 1239309-58-0 (free base) 2050058-30-3 (2HCl)
Synonym: BAY-1067197; BAY1067197; BAY 1067197; BAY-106,7197; BAY 106,7197; BAY106,7197; BAY10-67197; BAY-10-67197; BAY 10-67197; Neladenoson dalanate; Neladenoson bialanate.
IUPAC/Chemical Name: 2-{4-[2-({[2-(4-chlorophenyl)-1,3-thiazol- 4-yl]methyl}sulfanyl)-3,5-dicyano-6-(pyrrolidin-1-yl)pyridin- 4-yl]phenoxy}ethyl L-alanyl-L-alaninate
InChi Key: WESNEIGKOAXSGX-VXKWHMMOSA-N
InChi Code: InChI=1S/C35H34ClN7O4S2/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)/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
The following data is based on the product molecular weight 716.27 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 |
