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CS-W001157 4
Total: USD 88.00

(S)-3-Phenyl-2-[[(pyrazin-2-yl)carbonyl]amino]propanoic acid Bortezomib Impurity

  • CAS No. 114457-94-2

  • Cat. No. CS-0169686
  • Purity≥98%
  • MDL No.MFCD09800536

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

(S)-3-Phenyl-2-[[(pyrazin-2-yl)carbonyl]amino]propanoic acid Bortezomib Impurity|CS-0169686

Structure of 114457-94-2

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General Information

  • CAS No. 114457-94-2
  • Cat. No. CS-0169686
  • Purity ≥98%
  • MDL No. MFCD09800536
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₃N₃O₃
  • Molecular Weight 271.28
  • Synonym(s) None
  • SMILES O=C(O)[C@H](CC1=CC=CC=C1)NC(C2=NC=CN=C2)=O

Synthesis

  • Route1
    • null|null
      19847-10-0
    • L-Phenylalanine Aspartame Impurity|CS-0229723
      63-91-2
    • ~37%
    • In-stock
      (S)-3-Phenyl-2-[[(pyrazin-2-yl)carbonyl]amino]propanoic acid Bortezomib Impurity|CS-0169686
      114457-94-2

    References

    • WO2011/87822 A1, ; Page/Page column 120-121 ; WO 2011/087822 A1
  • Route2
    • (S)-methyl 3-phenyl-2-(pyrazine-2-carboxamido)propanoate  Bortezomib Impurity|CS-0163875
      73058-37-4
    • ~67%
    • In-stock
      (S)-3-Phenyl-2-[[(pyrazin-2-yl)carbonyl]amino]propanoic acid Bortezomib Impurity|CS-0169686
      114457-94-2

    References

    • Organic and Biomolecular Chemistry, , vol. 5, # 9 p. 1416 - 1426
  • Route3
    • Bortezomib Impurity 78|CS-0914601
      7364-51-4
    • null|null
      103435-88-7
    • ~98%
    • In-stock
      (S)-3-Phenyl-2-[[(pyrazin-2-yl)carbonyl]amino]propanoic acid Bortezomib Impurity|CS-0169686
      114457-94-2

    References

    • Tetrahedron, , vol. 65, # 34 p. 7105 - 7108

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   92.18
  • LogP   0.9023
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   5

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