Diethyl 2-(4-(2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioate 4-methylbenzenesulfonate

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Names

[ CAS No. ]:
165049-28-5

[ Name ]:
Diethyl 2-(4-(2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioate 4-methylbenzenesulfonate

[Synonym ]:
pemetrexed dimethyl ester
N-[4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid 1,5-dimethyl ester 4-methylbenzenesulfonate
D-Pemetrexed Dimethyl Diester
5-[2-(4-{[(2S)-1,5-Diethoxy-1,5-dioxo-2-pentanyl]carbamoyl}phenyl)ethyl]-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-2-aminium 4-methylbenzenesulfonate
Pemetrexed Methyl Ester

Chemical & Physical Properties

[ Molecular Formula ]:
C31H37N5O9S

[ Molecular Weight ]:
655.719

[ Exact Mass ]:
655.231201

[ PSA ]:
232.01000

[ LogP ]:
4.91800

Safety Information

[ HS Code ]:
2942000000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pymol[2,3-d]pyrimodin-5-yl)ethyl]benzoic acid
  • 4-(4-Oxobutyl)benzoic acid methyl ester
  • methyl 4-(4-hydroxybut-1-yn-1-yl)benzoate
  • Methyl 4-bromobenzoate
  • methyl 4-(4-hydroxybut-1-yl)benzoate
  • p-Toluenesulfonic acid
  • PEMETREXED DIETHYL ESTER (L-GLUTAMIC ACID, N-[4-[2-(2-AMINO-4,7-DIHYDRO-4-OXO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)ETHYL]BENZOYL]-, 1,5-DIETHYL ESTER )
  • 4,6-dimethoxy-1,3,5-triazin-2-yl 4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzoate

DownStream

  • Pemetrexed disodium

Customs

[ HS Code ]: 2942000000