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CAS 163927-31-9

:

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

Description:
(R)-(-)-4-(3-Isothiocyanatopyrrolidin-1-yl)-7-(N,N-dimethylaminosulfonyl)-2,1,3-benzoxadiazole, with CAS number 163927-31-9, is a chemical compound characterized by its complex structure, which includes a benzoxadiazole core, a pyrrolidine ring, and an isothiocyanate functional group. This compound is notable for its potential applications in medicinal chemistry, particularly in the development of pharmaceuticals due to its unique reactivity and ability to interact with biological targets. The presence of the isothiocyanate group suggests that it may participate in nucleophilic reactions, making it useful in various synthetic pathways. Additionally, the dimethylaminosulfonyl group enhances its solubility and may influence its biological activity. The stereochemistry indicated by the (R)-(-) designation suggests that the compound exhibits chirality, which can significantly affect its pharmacological properties. Overall, this compound represents a valuable scaffold for further research and development in drug discovery and related fields.
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-/m1/s1
InChI key:InChIKey=YMXYIIXTKUQWPC-SECBINFHSA-N
SMILES:S(N(C)C)(=O)(=O)C=1C=2C(C(=CC1)N3C[C@H](N=C=S)CC3)=NON2
Synonyms:
  • (R)-()-1-[7-(Dimethylaminosulfonyl)benzofurazan-4-yl]pyrrolidin-3-yl isothiocyanate
  • (R)-(-)-4-(3-Isothiocyanatopyrrolidin-1-yl)-7-(N,N-dimethylaminosulfonyl)-2,1,3-benzoxadiazole
  • (R)-DBD-Py-NCS [=(R)-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-, (R)-
  • 2,1,3-Benzoxadiazole-4-sulfonamide, 7-[(3R)-3-isothiocyanato-1-pyrrolidinyl]-N,N-dimethyl-
  • 7-[(3R)-3-Isothiocyanato-1-pyrrolidinyl]-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
  • 7-[(3R)-3-isothiocyanatopyrrolidin-1-yl]-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
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