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CAS 18481-23-7

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Butanoic acid, dithiobis[3-[1-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]ethylidene]-3,1-propanediyl] ester

Description:
Butanoic acid, dithiobis[3-[1-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]ethylidene]-3,1-propanediyl] ester, identified by CAS number 18481-23-7, is a complex organic compound characterized by its unique structural features. It contains a butanoic acid moiety, which contributes to its acidic properties, and a dithiobis linkage that suggests the presence of two sulfur atoms connected by a disulfide bond. The compound also features a pyrimidine derivative, indicating potential biological activity, particularly in medicinal chemistry. The presence of amino and formyl groups suggests that it may participate in various chemical reactions, including amine and aldehyde chemistry. Its structure implies potential applications in pharmaceuticals or as a biochemical probe, although specific applications would depend on further research into its properties and reactivity. Overall, this compound exemplifies the complexity often found in organic chemistry, particularly in the design of molecules with potential therapeutic uses.
Formula:C32H46N8O6S2
InChI:InChI=1S/C32H46N8O6S2/c1-7-9-29(43)45-13-11-27(21(3)39(19-41)17-25-15-35-23(5)37-31(25)33)47-48-28(12-14-46-30(44)10-8-2)22(4)40(20-42)18-26-16-36-24(6)38-32(26)34/h15-16,19-20H,7-14,17-18H2,1-6H3,(H2,33,35,37)(H2,34,36,38)
InChI key:InChIKey=YMEBNAABDXLAJE-UHFFFAOYSA-N
SMILES:C(N(C(=C(SSC(=C(N(CC=1C(N)=NC(C)=NC1)C=O)C)CCOC(CCC)=O)CCOC(CCC)=O)C)C=O)C=2C(N)=NC(C)=NC2
Synonyms:
  • Butyric acid, diester with N,N′-[dithiobis[2-(2-hydroxyethyl)-1-methylvinylene]]bis[N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]formamide]
  • BuTDS
  • Butanoic acid, dithiobis[3-[1-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]ethylidene]-3,1-propanediyl] ester
  • O-Butyrylthiamine disulfide
  • Formamide, N,N′-[dithiobis[2-(2-hydroxyethyl)-1-methylvinylene]]bis[N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-, dibutyrate (ester)
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