CAS 165049-28-5

Acide L-glutamique, N-[4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)éthyl]benzoyl]-, 1,5-diester éthylique, 4-méthylbenzènesulfonate (1:1)

Description :

Acide L-glutamique, N-[4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)éthyl]benzoyl]-, 1,5-diester éthylique, 4-méthylbenzènesulfonate (1:1), avec le numéro CAS 165049-28-5, est un composé organique complexe caractérisé par sa structure multifonctionnelle. Il présente une structure de base d'acide aminé, spécifiquement l'acide L-glutamique, connu pour son rôle de neurotransmetteur et son implication dans les processus métaboliques. Le composé comprend un moiety de pyrrolopyrimidine, indiquant une activité biologique potentielle, possiblement liée à l'inhibition d'enzymes ou à la modulation de récepteurs. La présence de groupes d'esters diéthyliques suggère une lipophilie accrue, ce qui peut influencer sa solubilité et sa biodisponibilité. De plus, le composant 4-méthylbenzenesulfonate peut améliorer la stabilité et la solubilité dans des environnements aqueux. Dans l'ensemble, la structure complexe de ce composé implique des applications potentielles dans le domaine pharmaceutique, en particulier dans le développement d'agents thérapeutiques ciblant des troubles neurologiques ou métaboliques. Cependant, des activités biologiques spécifiques et des propriétés pharmacocinétiques nécessiteraient des investigations supplémentaires par le biais d'études empiriques.

Formule : C₂₄H₂₉N₅O₆·C₇H₈O₃S

InChI : InChI=1S/C24H29N5O6.C7H8O3S/c1-3-34-18(30)12-11-17(23(33)35-4-2)27-21(31)15-8-5-14(6-9-15)7-10-16-13-26-20-19(16)22(32)29-24(25)28-20;1-6-2-4-7(5-3-6)11(8,9)10/h5-6,8-9,13,17H,3-4,7,10-12H2,1-2H3,(H,27,31)(H4,25,26,28,29,32);2-5H,1H3,(H,8,9,10)/t17-;/m0./s1

Code InChI : InChIKey=UANBXQTVHOIGGQ-LMOVPXPDSA-N

SMILES : C(CC1=CC=C(C(N[C@@H](CCC(OCC)=O)C(OCC)=O)=O)C=C1)C=2C3=C(NC2)NC(N)=NC3=O.S(=O)(=O)(O)C1=CC=C(C)C=C1

Synonymes :

• (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
• 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
• <span class="text-smallcaps">L</span>-Glutamic acid, N-[4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-, diethyl ester, mono(4-methylbenzenesulfonate)
• <span class="text-smallcaps">L</span>-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-methylbenzenesulfonate (1:1)
• 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
• 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(1:1)
• 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-methyl benzenesulfonate(1:1)
• 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(1:1)
• 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-methylbenzenesulfonate (1:1)
• L-Glutamic acid, N-[4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-, diethyl ester, mono(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-1,5-Diethyl Ester 4-Ethylbenzene Sulfonate
• (S)-DiethyL
• (S)-Diethyl 2-(4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido
• N-[4-[2-(2-aMino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyriMidin-5-yl)ethyl]benzoyl]L-glutaMic acid
• 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)
• 5-[2-(4-{[(1S)-4-ethoxy-1-(ethoxycarbonyl)-4-oxobutyl]carbam...
• PeMetrexed disodiuM INT-5
• iethyl(2S)-2-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate,4-methylbenzenesulfonicaci
• 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 USP/EP/BP
• )benzamido)pentanedioate 4-methyL
• pentanedioate 4-methylbenzenesulfonate
• (S)-Diethyl 2-(4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pe
• Diethyl 2-(4-(2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioate 4-methylbenzenesulfonate
• -Diethyl 2-(4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)
• N-[4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]L-glutamic acid, 1,
• diethyl (2S)-2-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate,4-methylbenzenesulfonic acid
• (2S)-2-{[4-(2-{2-aMino-4-oxo-3H,4H,7H-pyrrolo[2,3-d]pyriMidin-5-yl}ethyl)phenyl]forMaMido}pentanedioic acid
• 2-(4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrroL
• (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,>95%
• benzamido)

L-Glutamic acid,N-[4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-, diethyl ester, mono(4-methylbenzenesulfonate)

CAS : 165049-28-5

Formule : C₃₁H₃₇N₅O₉S

Degré de pureté : 95%

Couleur et forme : Solid

Masse moléculaire : 655.7186

Ref: IN-DA00HZ48

(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

CAS : 165049-28-5

(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

Degré de pureté : 95%

Ref: 54-OR1038713

(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

CAS : 165049-28-5

Degré de pureté : 97%

Masse moléculaire : 655.72

Ref: 10-F988178

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

CAS : 165049-28-5

Applications 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 is used in the preparation of Pemetrexed (A604980) Sodium. Pemetrexed, is used in the treatment of malignant pleural mesothelioma (MPM).
References Pasello, G. et al.: Anticanc. Res., 32, 5393 (2012);

Formule : C₂₄H₂₉N₅O₆·C₇H₈O₃S

Couleur et forme : Neat

Masse moléculaire : 655.72

Ref: TR-A605005

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

CAS : 165049-28-5

Pemetrexed disodium is a multitargeted antineoplastic drug. It is a prodrug that is activated by the cytochrome P450 enzyme system in the liver to form pemetrexed, which inhibits DNA synthesis and cell division. Pemetrexed has also been shown to be active against cancer cells that are resistant to other chemotherapeutic drugs, such as taxanes. The heptahydrate form of pemetrexed is a crystalline powder with a molecular weight of 526.5 Da. The molecule consists of two cyclohexane rings and one pyrimidine ring linked by an amide bond at the 2-position. Pemetrexed disodium was originally developed for intravenous administration but has since been reformulated for oral use in order to increase patient compliance and convenience. This drug can cause nausea, vomiting, diarrhea, or constipation and may result in decreased appetite, weight loss, malaise, weakness, muscle pain

Formule : C₃₁H₃₇N₅O₉S

Degré de pureté : Min. 95%

Masse moléculaire : 655.72 g/mol

Ref: 3D-FD156130