CAS 165049-28-5: 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)

Description: 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), with CAS number 165049-28-5, is a complex organic compound characterized by its multi-functional structure. It features an amino acid backbone, specifically L-glutamic acid, which is known for its role as a neurotransmitter and its involvement in metabolic processes. The compound includes a pyrrolopyrimidine moiety, indicating potential biological activity, possibly related to enzyme inhibition or receptor modulation. The presence of diethyl ester groups suggests enhanced lipophilicity, which may influence its solubility and bioavailability. Additionally, the 4-methylbenzenesulfonate component may enhance stability and solubility in aqueous environments. Overall, this compound's intricate structure implies potential applications in pharmaceuticals, particularly in the development of therapeutic agents targeting neurological or metabolic disorders. However, specific biological activities and pharmacokinetic properties would require further investigation through empirical studies.

Formula: 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

InChI key: InChIKey=UANBXQTVHOIGGQ-LMOVPXPDSA-N

SMILES: O=C1N=C(N)NC=2NC=C(C12)CCC3=CC=C(C=C3)C(=O)NC(C(=O)OCC)CCC(=O)OCC.O=S(=O)(O)C1=CC=C(C=C1)C

Synonyms:

• (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)

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

• Formula: C₃₁H₃₇N₅O₉S
• Purity: 95%
• Color and Shape: Solid
• Molecular weight: 655.7186

(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

• Purity: 97%
• Molecular weight: 655.72

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. …

• Formula: C₂₄H₂₉N₅O₆·C₇H₈O₃S
• Color and Shape: Neat
• Molecular weight: 655.72

(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 …

• Formula: C₃₁H₃₇N₅O₉S
• Purity: Min. 95%
• Molecular weight: 655.72 g/mol