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Substance Name: 4-Isothiocyanatophenylaminothiocarbonyl-2-((2-aminoethylaminocarbonylethyl)phenylethylamino)-5'-N-ethylcarboxamidoadenosine
RN: 129666-43-9
InChIKey: FTAPSPXPTGWVGV-OVDFTCDZSA-N

Note

  • The covalent binding of DITC-APEC causes irreversible activation of the guinea pig coronary artery A(2A) adenosine receptor.

Molecular Weight

  • 733.8751
 
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Names and Synonyms

Name of Substance

  • 4-Isothiocyanatophenylaminothiocarbonyl-2-((2-aminoethylaminocarbonylethyl)phenylethylamino)-5'-N-ethylcarboxamidoadenosine

Synonym

  • Ditc-apec

Registry Numbers

CAS Registry Number

  • 129666-43-9

System Generated Number

  • 0129666439

Structure Descriptors

InChI

1S/C33H39N11O5S2/c1-2-35-30(48)27-25(46)26(47)31(49-27)44-17-39-24-28(34)42-32(43-29(24)44)37-14-13-20-5-3-19(4-6-20)7-12-23(45)36-15-16-38-33(51)41-22-10-8-21(9-11-22)40-18-50/h3-6,8-11,17,25-27,31,46-47H,2,7,12-16H2,1H3,(H,35,48)(H,36,45)(H2,38,41,51)(H3,34,37,42,43)/t25-,26+,27-,31+/m0/s1

InChIKey

FTAPSPXPTGWVGV-OVDFTCDZSA-N

Smiles

CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3N)NCCc4ccc(cc4)CCC(=O)NCCNC(=S)Nc5ccc(cc5)N=C=S)O)O