Structure of Pemetrexed R-Isomer Dimethyl Ester CAS 1391068-12-4

Iden­ti­fi­ca­tion

CAS Number

1391068-12-4

Name

Peme­trexed R-Iso­mer Dimethyl Ester

Syn­onyms

D-Glu­­tam­ic acid, N-[4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-, dimethyl ester[ACD/​Index Name]
Dimethyl N-{4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-D-glutamate[ACD/IUPAC Name]
Dimethyl-N-{4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-D-glutamat[German][ACD/IUPAC Name]
N-{4-[2-(2-Amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)éthyl]benzoyl}-D-glutamate de diméthyle[French][ACD/IUPAC Name]
D-Peme­trexed Dimethyl Diester
dimethyl (2R)-2-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate
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
Peme­trexed methyl ester

SMILES

COC(=O)CCC@@Hnc(=O)c23)cc1)C(=O)OC

Std­InChI

InChI=1S/C22H25N5O6/c1-32-16(28)10-9-15(21(31)33-2)25-19(29)13-6-3-12(4-7-13)5-8-14-11-24-18-17(14)20(30)27-22(23)26-18/h3-4,6-7,11,15H,5,8-10H2,1-2H3,(H,25,29)(H4,23,24,26,27,30)/t15-/m1/s1

Std­InChIKey

WWYZ­IX­U­UER­­DREV-OAHLLOKOSA-N

Mol­e­c­u­lar Formula

C22H25N5O6

Mol­e­c­u­lar Weight

455.471

Prop­er­ties

Appear­ance

Off-White to Pale Blue Solid

Safe­ty Data

RIDADR 

NONH for all modes of transport

WGK Germany

3

Spec­i­fi­ca­tions and Oth­er Infor­ma­tion of Our Peme­trexed R-Iso­mer Dimethyl Ester CAS 1391068-12-4

Iden­ti­fi­ca­tion Methods

NMR, MS

Puri­ty

95% min

Shelf Life

2 years

Stor­age

Store at 2~8 °C for long time, sealed and away from light.

Pro­duc­tiv­i­ty

1MT/​month

Known Appli­ca­tion

One of the key inter­me­di­ates used in the syn­the­sis of the anti­cancer drug Peme­trexed, espe­cial­ly in the process devel­op­ment stage. Peme­trexed is a mul­ti-tar­get­ed antimetabo­lite anti­cancer drug, main­ly used to treat non-small cell lung can­cer (NSCLC) and malig­nant pleur­al mesothelioma.

Gen­er­al View of Documents

HNMR of Peme­trexed R-Iso­mer Dimethyl Ester CAS 1391068-12-4
MS of Peme­trexed R-Iso­mer Dimethyl Ester CAS 1391068-12-4
HPLC of Pemetrexed R-Isomer Dimethyl Ester CAS 1391068-12-4
HPLC of Peme­trexed R-Iso­mer Dimethyl Ester CAS 1391068-12-4

This prod­uct is devel­oped by our R&D com­pa­ny Cam­ing Phar­ma­ceu­ti­cal Ltd (https://​www​.cam​ing​.com/).

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