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CS-W001157 4
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5-Iodo-BIIB021

  • CAS No. 911397-54-1

  • Cat. No. CS-0544033
  • Molecule weight443.67
  • Purity≥98%
  • MDL No.MFCD13184297

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

5-Iodo-BIIB021|CS-0544033

Structure of 911397-54-1

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General Information

  • CAS No. 911397-54-1
  • Cat. No. CS-0544033
  • Purity ≥98%
  • MDL No. MFCD13184297
  • Storage 4°C, sealed storage, away from moisture and light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₅ClIN₅O
  • Molecular Weight 443.67
  • Synonym(s) None
  • SMILES CC1=CN=C(C(=C1OC)C)CN2C=C(C3=C2N=C(N=C3Cl)N)I

Synthesis

  • Route1

    References

    • Shi, Jiandong; Van De Water, Ryan; Hong, Kevin; Lamer, Ryan B.; Weichert, Kenneth W.; Sandoval, Cristina M.; Kasibhatla, Srinivas R.; Boehm, Marcus F.; Chao, Jianhua; Lundgren, Karen; Timple, Noelito; Lough, Rachel; Ibanez, Gerardo; Boykin, Christina; Burrows, Francis J.; Kehry, Marilyn R.; Yun, Theodore J.; Harning, Erin K.; Ambrose, Christine; Thompson, Jeffrey; Bixler, Sarah A.; Dunah, Anthone; Snodgrass-Belt, Pamela; Arndt, Joseph; Enyedy, Istvan J.; Li, Ping; Hong, Victor S.; McKenzie, Andres; Biamonte, Marco A. Journal of Medicinal Chemistry, 2012 , vol. 55, # 17 p. 7786 - 7795
  • Route2

    References

    • Shi, Jiandong; Van De Water, Ryan; Hong, Kevin; Lamer, Ryan B.; Weichert, Kenneth W.; Sandoval, Cristina M.; Kasibhatla, Srinivas R.; Boehm, Marcus F.; Chao, Jianhua; Lundgren, Karen; Timple, Noelito; Lough, Rachel; Ibanez, Gerardo; Boykin, Christina; Burrows, Francis J.; Kehry, Marilyn R.; Yun, Theodore J.; Harning, Erin K.; Ambrose, Christine; Thompson, Jeffrey; Bixler, Sarah A.; Dunah, Anthone; Snodgrass-Belt, Pamela; Arndt, Joseph; Enyedy, Istvan J.; Li, Ping; Hong, Victor S.; McKenzie, Andres; Biamonte, Marco A. Journal of Medicinal Chemistry, 2012 , vol. 55, # 17 p. 7786 - 7795
  • Route3
    • N-(4-Oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-2-yl)pivalamide|CS-0099164
      137281-08-4
    • ~%
    • In-stock
      5-Iodo-BIIB021|CS-0544033
      911397-54-1

    References

    • Shi, Jiandong; Van De Water, Ryan; Hong, Kevin; Lamer, Ryan B.; Weichert, Kenneth W.; Sandoval, Cristina M.; Kasibhatla, Srinivas R.; Boehm, Marcus F.; Chao, Jianhua; Lundgren, Karen; Timple, Noelito; Lough, Rachel; Ibanez, Gerardo; Boykin, Christina; Burrows, Francis J.; Kehry, Marilyn R.; Yun, Theodore J.; Harning, Erin K.; Ambrose, Christine; Thompson, Jeffrey; Bixler, Sarah A.; Dunah, Anthone; Snodgrass-Belt, Pamela; Arndt, Joseph; Enyedy, Istvan J.; Li, Ping; Hong, Victor S.; McKenzie, Andres; Biamonte, Marco A. Journal of Medicinal Chemistry, 2012 , vol. 55, # 17 p. 7786 - 7795

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   78.85
  • LogP   3.34024
  • H_Acceptors   6
  • H_Donors   1
  • Rotatable_Bonds   3

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