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CAS 163927-32-0

:

(S)-(+)-4-(3-Isothiocyanatopyrrolidin-1-yl)-7-(N,N-dimethylaminosulfonyl)-2,1,3-benzoxadiazole

Description:
(S)-(+)-4-(3-Isothiocyanatopyrrolidin-1-yl)-7-(N,N-dimethylaminosulfonyl)-2,1,3-benzoxadiazole is a chemical compound characterized by its complex structure, which includes a benzoxadiazole core, an isothiocyanate functional group, and a dimethylaminosulfonyl substituent. This compound is typically used in biochemical research, particularly in studies involving cellular signaling and molecular interactions. The presence of the isothiocyanate group suggests potential reactivity with nucleophiles, making it useful in labeling or modifying biomolecules. The chirality indicated by the (S)- configuration implies that the compound may exhibit specific biological activity or selectivity in interactions with biological targets. Additionally, the sulfonamide moiety can enhance solubility and stability in biological systems. Overall, this compound's unique structural features contribute to its utility in various chemical and biological applications, particularly in the development of probes or inhibitors in medicinal chemistry.
Formula:C13H15N5O3S2
InChI:InChI=1S/C13H15N5O3S2/c1-17(2)23(19,20)11-4-3-10(12-13(11)16-21-15-12)18-6-5-9(7-18)14-8-22/h3-4,9H,5-7H2,1-2H3/t9-/m0/s1
InChI key:InChIKey=YMXYIIXTKUQWPC-VIFPVBQESA-N
SMILES:S(N(C)C)(=O)(=O)C=1C=2C(C(=CC1)N3C[C@@H](N=C=S)CC3)=NON2
Synonyms:
  • (S)-(+)-1-[7-(Dimethylaminosulfonyl)benzofurazan-4-yl]pyrrolidin-3-yl isothiocyanate
  • (S)-(+)-4-(3-Isothiocyanatopyrrolidin-1-yl)-7-(N,N-dimethylaminosulfonyl)-2,1,3-benzoxadiazole
  • (S)-DBD-Py-NCS [(S)-4-(n,n-dimethylaminosulfonyl)-7-(3-isothiocyanatopyrrolidino)-2,1,3-benzoxadiazole]
  • 2,1,3-Benzoxadiazole-4-sulfonamide, 7-(3-isothiocyanato-1-pyrrolidinyl)-N,N-dimethyl-, (S)-
  • 2,1,3-Benzoxadiazole-4-sulfonamide, 7-[(3S)-3-isothiocyanato-1-pyrrolidinyl]-N,N-dimethyl-
  • 7-[(3S)-3-Isothiocyanato-1-pyrrolidinyl]-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
  • 7-[(3S)-3-isothiocyanatopyrrolidin-1-yl]-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
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