Neladenoson dalanate

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Hodoodo CAT#: H319553

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.


Chemical Structure

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

Theoretical Analysis

Hodoodo Cat#: H319553
Name: Neladenoson dalanate
CAS#: 1239309-58-0 (free base)
Chemical Formula: C35H34ClN7O4S2
Exact Mass: 715.18
Molecular Weight: 716.270
Elemental Analysis: C, 58.69; H, 4.78; Cl, 4.95; N, 13.69; O, 8.93; S, 8.95

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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:

Biological target:
In vitro activity:
In vivo activity:

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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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