CAS 165049-28-5

Ácido L-glutâmico, N-[4-[2-(2-amino-4,7-diidro-4-oxo-3H-pirrolo[2,3-d]pirimidin-5-il)etil]benzoyl]-, 1,5-diéster etílico, 4-metilbenzenossulfonato (1:1)

Descrição:

Ácido L-glutâmico, N-[4-[2-(2-amino-4,7-diidro-4-oxo-3H-pirrolo[2,3-d]pirimidin-5-il)etil]benzoyl]-, 1,5-diéster etílico, 4-metilbenzenossulfonato (1:1), com número CAS 165049-28-5, é um composto orgânico complexo caracterizado por sua estrutura multifuncional. Apresenta uma espinha dorsal de aminoácido, especificamente ácido L-glutâmico, conhecido por seu papel como neurotransmissor e sua participação em processos metabólicos. O composto inclui um moiety de pirrolopirimidina, indicando potencial atividade biológica, possivelmente relacionada à inibição de enzimas ou modulação de receptores. A presença de grupos de éster dietílico sugere lipofilicidade aumentada, o que pode influenciar sua solubilidade e biodisponibilidade. Além disso, o componente 4-metilbenzenossulfonato pode melhorar a estabilidade e solubilidade em ambientes aquosos. No geral, a estrutura intrincada deste composto implica aplicações potenciais em farmacêuticos, particularmente no desenvolvimento de agentes terapêuticos direcionados a distúrbios neurológicos ou metabólicos. No entanto, atividades biológicas específicas e propriedades farmacocinéticas exigiriam investigação adicional por meio de estudos empíricos.

Fórmula: 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

Chave 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

Sinónimos:

• (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

Fórmula: C₃₁H₃₇N₅O₉S

Pureza: 95%

Cor e Forma: Solid

Peso molecular: 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

Pureza: 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

Pureza: 97%

Peso molecular: 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);

Fórmula: C₂₄H₂₉N₅O₆·C₇H₈O₃S

Cor e Forma: Neat

Peso molecular: 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

Fórmula: C₃₁H₃₇N₅O₉S

Pureza: Min. 95%

Peso molecular: 655.72 g/mol

Ref: 3D-FD156130