Account (S)-Diethyl 2-(4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioate 4-methylbenzenesulfonate
- Catalog No. :
- ACETDM703
- CAS No. :
- 165049-28-5
- Molecular Formula :
- C31H37N5O9S
- Molecular Weight :
- 655.73
IUPAC Name:diethyl (4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzoyl)-L-glutamate 4-methylbenzenesulfonate
![(S)-Diethyl 2-(4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioate 4-methylbenzenesulfonate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (S)-Diethyl 2-(4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioate 4-methylbenzenesulfonate |
|---|---|
| IUPAC Name | diethyl (4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzoyl)-L-glutamate 4-methylbenzenesulfonate |
| MDL No. | MFCD12911689 |
| Molecular Formula | C31H37N5O9S |
| Molecular Weight | 655.73 |
| SMILES | O=C(OCC)[C@@H](NC(C1=CC=C(CCC2=CNC(N=C(N)N3)=C2C3=O)C=C1)=O)CCC(OCC)=O.O=S(C4=CC=C(C)C=C4)(O)=O |
| InChI Key | UANBXQTVHOIGGQ-LMOVPXPDSA-N |
| Synonym | 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-diethyl ester 4-methylbenzenesulfonate;(S)-Diethyl 2-(4-(2-(2-aMino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyriMidin-5-yl)ethyl)benzaMido)pentanedioate 4-Methylbenzenesulfonate;N-[4-[2-(2-aMino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyriMidin-5-yl)ethyl]benzoyl]L-glutaMic acid;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-Diethyl Ester 4-Ethylbenzene Sulfonate;(S)-Diethyl 2-(4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pe;PeMetrexed disodiuM INT-5;5-[2-(4-{[(1S)-4-ethoxy-1-(ethoxycarbonyl)-4-oxobutyl]carbaMoyl}phenyl)ethyl]-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyriMidin-2-aMiniuM 4-Methylbenzenesulfonate (non-preferred naMe);benzamido) |
| CAS No. | 165049-28-5 |
| PubChem CID | 135741210 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P305+P351+P338
Synthetic Route by SureRoute
2. ACETDM703 Molecular Building Block Synthetic Route
(S)-Diethyl 2-(4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioate
1,5-Dimethyl (2S)-2-{[4-(2-{2-amino-4-oxo-1H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethyl)phenyl]formamido}pentanedioate
Dimethyl (4-(2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzoyl)-D-glutamate