Cas no 446022-33-9 (Pelitrexol)

Pelitrexol structure
Pelitrexol structure
Product Name:Pelitrexol
CAS No:446022-33-9
MF:C20H25N5O6S
MW:463.5074031353
CID:68132
Update Time:2025-04-18

Pelitrexol Chemical and Physical Properties

Names and Identifiers

    • Pelitrexol
    • N-((5-(2-((6S)-2-Amino-1,4,5,6,7,8-hexahydro-4-oxopyrido[2,3-d]pyrimidin-6-yl)ethyl)-4-methyl-2-thienyl)carbonyl)-L-glutamic acid
    • AG 2037
    • (2S)-2-(((5-(2-((6S)-2-Amino-4-oxo-1,4,5,6,7,8-hexahydropyrido(2,3-D)pyrimidin-6-yl)ethyl)-4-methylthiophen-2-yl)carbonyl)amino)pentanedioic acid
    • L-Glutamic acid,N-((5-(2-((6S)-2-amino-1,4,5,6,7,8-hexahydro-4-oxopyrido(2,3-D)pyrimidin-6-yl)ethyl)-4-methyl-2-thienyl)carbonyl)
    • Unii-dht6E8m4kp
    • Inchi: 1S/C20H25N5O6S/c1-9-6-14(18(29)23-12(19(30)31)3-5-15(26)27)32-13(9)4-2-10-7-11-16(22-8-10)24-20(21)25-17(11)28/h6,10,12H,2-5,7-8H2,1H3,(H,23,29)(H,26,27)(H,30,31)(H4,21,22,24,25,28)/t10-,12-/m0/s1
    • InChI Key: QXOPTIPQEVJERB-JQWIXIFHSA-N
    • SMILES: S1C(C(N[C@H](C(=O)O)CCC(=O)O)=O)=CC(C)=C1CC[C@@H]1CNC2=C(C(NC(N)=N2)=O)C1

Computed Properties

  • Exact Mass: 463.15300
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 10

Experimental Properties

  • PSA: 215.74000
  • LogP: 2.09690

Pelitrexol Security Information

  • Storage Condition:Please store the product under the recommended conditions in the Certificate of Analysis.

Pelitrexol Pricemore >>

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