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112889-02-8

112889-02-8 Structure

112889-02-8 Structure
IdentificationBack Directory
[Name]

Diethyl N-[5-methylamino-2-thenoyl]-L-glutamate
[CAS]

112889-02-8
[Synonyms]

diethyl n-[5-methylamino-2-thenoyl]-l-glutamate
Diethyl N-[5-methylamino-2-thenoyl]-L-glutamate USP/EP/BP
(S)-Diethyl 2-(5-(MethylaMino)thiophene-2-carboxaMido)pentanedioate
n-[[5-(methylamino)-2-thienyl]carbonyl]-l-glutamic acid diethyl ester
iethyl(2S)-2-[[5-(methylamino)thiophene-2-carbonyl]amino]pentanedioate
L-Glutamic acid, N-[[5-(methylamino)-2-thienyl]carbonyl]-, 1,5-diethyl ester
[Molecular Formula]

C15H22N2O5S
[MDL Number]

MFCD09750956
[MOL File]

112889-02-8.mol
[Molecular Weight]

342.41
Chemical PropertiesBack Directory
[Boiling point ]

519.6±50.0 °C(Predicted)
[density ]

1.231
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[pka]

12.89±0.46(Predicted)
[InChI]

InChI=1S/C15H22N2O5S/c1-4-21-13(18)9-6-10(15(20)22-5-2)17-14(19)11-7-8-12(16-3)23-11/h7-8,10,16H,4-6,9H2,1-3H3,(H,17,19)/t10-/m0/s1
[InChIKey]

OIUDYHGOODXYDK-JTQLQIEISA-N
[SMILES]

C(OCC)(=O)[C@H](CCC(OCC)=O)NC(C1SC(NC)=CC=1)=O
Hazard InformationBack Directory
[Uses]

N-[[5-(Methylamino)-2-thienyl]carbonyl]-L-glutamic Acid Diethyl Ester can be used as reactant/reagent for synthetic preparation of Raltitrexed (anticancer agent). An intermediate or impurity in the synthesis of Raltitrexed (R100500). Raltitrexed (R100500) is folate-based inhibitor of thymidylate synthase; rapidly and extensively metabolized to its more potent polyglutamate derivatives. Antineoplastic.
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