WARNING: This product is for research use only, not for human or veterinary use.
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.
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
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:
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In vitro activity: | |
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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 |
Formulation protocol: | |
In vitro protocol: | |
In vivo protocol: |