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CS-W001157 4
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7-(Benzenesulfonyl)-4-chloro-6-iodo-7H-pyrrolo[2,3-d]pyrimidine

  • CAS No. 876343-09-8

  • Cat. No. CS-0050137
  • Purity≥95%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

7-(Benzenesulfonyl)-4-chloro-6-iodo-7H-pyrrolo[2,3-d]pyrimidine|CS-0050137

Structure of 876343-09-8

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General Information

  • CAS No. 876343-09-8
  • Cat. No. CS-0050137
  • Purity ≥95%
  • MDL No. None
  • Storage -20°C, sealed storage, away from moisture and light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₇ClIN₃O₂S
  • Molecular Weight 419.63
  • Synonym(s) 4-Chloro-6-iodo-7-phenylsulfonyl-7H-pyrrolo[2,3-D]pyrimidine
  • SMILES ClC1=C2C=C(I)N(C2=NC=N1)S(=O)(=O)C1=CC=CC=C1

Synthesis

  • Route1
    • 7-(Benzenesulfonyl)-4-chloro-7H-pyrrolo[2,3-d]pyrimidine|CS-0050136
      186519-89-1
    • ~%
    • In-stock
      7-(Benzenesulfonyl)-4-chloro-6-iodo-7H-pyrrolo[2,3-d]pyrimidine|CS-0050137
      876343-09-8

    References

    • OSI PHARMACEUTICALS, INC. Patent: WO2006/17443 A2, 2006 ; Location in patent: Page/Page column 56 ; WO 2006/017443 A2
  • Route2

    References

    • Kaspersen, Svein Jacob; Han, Jin; Norsett, Kristin G.; Rydsa, Line; Kjobli, Eli; Bugge, Steffen; Bjorkoy, Geir; Sundby, Eirik; Hoff, Bard Helge European Journal of Pharmaceutical Sciences, 2014 , vol. 59, # 1 p. 69 - 82
  • Route3
    • 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine Tofacitinib Impurity|CS-0213936
      3680-69-1
    • ~%
    • In-stock
      7-(Benzenesulfonyl)-4-chloro-6-iodo-7H-pyrrolo[2,3-d]pyrimidine|CS-0050137
      876343-09-8

    References

    • Kaspersen, Svein Jacob; Han, Jin; Norsett, Kristin G.; Rydsa, Line; Kjobli, Eli; Bugge, Steffen; Bjorkoy, Geir; Sundby, Eirik; Hoff, Bard Helge European Journal of Pharmaceutical Sciences, 2014 , vol. 59, # 1 p. 69 - 82

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   64.85
  • LogP   2.9263
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   2

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