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CS-W001157 4
Total: USD 88.00

Methotrexate dimethylamide

  • CAS No. 71074-44-7

  • Cat. No. CS-0112736
  • Purity≥98%
  • MDL No.None

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

Methotrexate dimethylamide|CS-0112736

Structure of 71074-44-7

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General Information

  • CAS No. 71074-44-7
  • Cat. No. CS-0112736
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₂H₂₇N₉O₄
  • Molecular Weight 481.51
  • Synonym(s) Methotrexate-gamma-dimethylamide; (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-(dimethylamino)-5-oxopentanoic acid
  • SMILES O=C(N(C)C)CC[C@@H](C(O)=O)NC(C1=CC=C(N(CC2=NC3=C(N)N=C(N)N=C3N=C2)C)C=C1)=O

Synthesis

  • Route1

    References

    • Piper; Montgomery; Sirotnak; Chello Journal of Medicinal Chemistry, 1982 , vol. 25, # 2 p. 182 - 187
  • Route2

    References

    • Piper; Montgomery; Sirotnak; Chello Journal of Medicinal Chemistry, 1982 , vol. 25, # 2 p. 182 - 187
  • Route3
    • 4-(((Benzyloxy)carbonyl)(methyl)amino)benzoic acid|CS-1148211
      2528-30-5
    • ~%
    • Methotrexate dimethylamide|CS-0112736
      71074-44-7

    References

    • Piper; Montgomery; Sirotnak; Chello Journal of Medicinal Chemistry, 1982 , vol. 25, # 2 p. 182 - 187

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   193.55
  • LogP   0.272
  • H_Acceptors   10
  • H_Donors   4
  • Rotatable_Bonds   9

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