Account 1,5-Dimethyl (2S)-2-{[4-(2-{2-amino-4-oxo-1H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethyl)phenyl]formamido}pentanedioate
- Catalog No. :
- ACOJQQ862
- CAS No. :
- 155405-81-5
- Molecular Formula :
- C22H25N5O6
- Molecular Weight :
- 455.47
IUPAC Name:dimethyl (4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzoyl)-L-glutamate
![1,5-Dimethyl (2S)-2-{[4-(2-{2-amino-4-oxo-1H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethyl)phenyl]formamido}pentanedioate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 1,5-Dimethyl (2S)-2-{[4-(2-{2-amino-4-oxo-1H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethyl)phenyl]formamido}pentanedioate |
|---|---|
| IUPAC Name | dimethyl (4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzoyl)-L-glutamate |
| MDL No. | MFCD27578441 |
| Molecular Formula | C22H25N5O6 |
| Molecular Weight | 455.47 |
| SMILES | COC(CC[C@@H](C(OC)=O)NC(C1=CC=C(C=C1)CCC2=CNC3=C2C(N=C(N3)N)=O)=O)=O |
| InChI Key | WWYZIXUUERDREV-HNNXBMFYSA-N |
| Synonym | 4-[2-(2-AMino-4-oxo-4,7-Dihydro-3H-pyrrolo[2,3-d]pyriMidine-5-yl)ethyl]-L-GlutaMicAcidDiethylEsterP-TluensulfonicAcidsalt;Pemetrexed methyl 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;PeMetrexed DiMethyl Ester;N-[4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid dimethyl ester;Pemetrexed Impurity 21(Pemetrexed Dimethyl Ester);dimethyl (2R)-2-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate;(E)-4-(4-((2-amino-6-oxo-1,6-dihydropyrimidin-4-yl)imino)butyl)benzoic acid |
| CAS No. | 155405-81-5 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319
- Precautionary Statement(s)
- P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501
Synthetic Route by SureRoute
2. ACOJQQ862 Molecular Building Block Synthetic Route
Dimethyl (4-(2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzoyl)-D-glutamate
(S)-Diethyl 2-(4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioate
![(S)-2-(4-(2-(2-Amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioic acid structure diagram](https://xchemchain-prod-1253699568.cos.ap-guangzhou.myqcloud.com/production/attachments/2026/07/22/1xmd/137281-23-3.png?X-Amz-Algorithm=AWS4-HMAC-SHA256&X-Amz-Credential=AKIDT0SoARehYSEnT2RxQiomY7TcckkZDlIx%2F20260803%2Fap-guangzhou%2Fs3%2Faws4_request&X-Amz-Date=20260803T064128Z&X-Amz-Expires=86400&X-Amz-SignedHeaders=host&response-content-disposition=attachment%3B%20filename%3D%22137281-23-3.png%22&x-id=GetObject&X-Amz-Signature=0eacf30b4144da74d1af430f1ea22ef3a7dc7f5c7577aa29ba546ccb1dda4267)
(S)-2-(4-(2-(2-Amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioic acid