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CAS 163706-36-3

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5′-Adenylic acid, N-[2-(methylthio)ethyl]-2-[(3,3,3-trifluoropropyl)thio]-, anhydride with P,P′-(dichloromethylene)bis[phosphonic acid], sodium salt (1:1:4)

Description:
5′-Adenylic acid, N-[2-(methylthio)ethyl]-2-[(3,3,3-trifluoropropyl)thio]-, anhydride with P,P′-(dichloromethylene)bis[phosphonic acid], sodium salt (1:1:4), identified by CAS number 163706-36-3, is a complex chemical compound characterized by its unique structural components. This substance features an adenylic acid backbone, which is a nucleotide that plays a crucial role in cellular energy transfer and signaling. The presence of methylthio and trifluoropropyl groups suggests that it may exhibit specific biochemical properties, potentially influencing its solubility and reactivity. The incorporation of phosphonic acid moieties indicates potential applications in medicinal chemistry, particularly in the development of pharmaceuticals or agrochemicals. As a sodium salt, it is likely to be more soluble in aqueous environments, enhancing its bioavailability. The compound's intricate structure may also suggest specific interactions with biological targets, making it of interest in research related to enzyme inhibition or modulation. Overall, this compound's unique characteristics position it as a potentially valuable entity in various chemical and biological applications.
Formula:C17H21Cl2F3N5Na4O12P3S2
InChI:InChI=1/C17H25Cl2F3N5O12P3S2.4Na/c1-43-5-3-23-12-9-13(26-15(25-12)44-4-2-16(20,21)22)27(7-24-9)14-11(29)10(28)8(38-14)6-37-42(35,36)39-41(33,34)17(18,19)40(30,31)32;;;;/h7-8,10-11,14,28-29H,2-6H2,1H3,(H,33,34)(H,35,36)(H,23,25,26)(H2,30,31,32);;;;/q;4*+1/p-4/t8-,10-,11-,14-;;;;/m1..../s1
InChI key:InChIKey=SUJHZJTXYWUVOS-OPKBHZIBSA-N
SMILES:N(CCSC)C1=C2C(N(C=N2)[C@@H]3O[C@H](COP(OP(C(P(=O)(O)O)(Cl)Cl)(=O)O)(=O)O)[C@@H](O)[C@H]3O)=NC(SCCC(F)(F)F)=N1.[Na]
Synonyms:
  • AR-C 69931MX
  • 5′-Adenylic acid, N-[2-(methylthio)ethyl]-2-[(3,3,3-trifluoropropyl)thio]-, anhydride with P,P′-(dichloromethylene)bis[phosphonic acid], sodium salt (1:1:4)
  • 5′-Adenylic acid, N-[2-(methylthio)ethyl]-2-[(3,3,3-trifluoropropyl)thio]-, monoanhydride with (dichloromethylene)bis[phosphonic acid], tetrasodium salt
  • Cangrelor tetrasodium
  • Tetrasodium cangrelor
  • See more synonyms
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