MedKoo Cat#: 319553 | Name: Neladenoson dalanate

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Neladenoson dalanate, also known as BAY-1067197, is a potent and selective adenosine A1 receptor agonist , and potentially useful for treatment of cardiovascular diseases.

Chemical Structure

Neladenoson dalanate
Neladenoson dalanate
CAS#1239309-58-0 (free base)

Theoretical Analysis

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

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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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
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, not in water
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
More Info

Preparing Stock Solutions

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.

Recalculate based on batch purity %
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