CAS 155405-80-4

Methyl 4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate

Description:

Methyl 4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate, with the CAS number 155405-80-4, is a chemical compound characterized by its complex structure, which includes a benzoate moiety and a pyrrolopyrimidine derivative. This compound typically exhibits properties associated with both aromatic and heterocyclic compounds, contributing to its potential biological activity. It is likely to be soluble in organic solvents due to the presence of the benzoate group, while its heterocyclic components may impart specific interactions with biological targets. The presence of an amino group suggests potential for hydrogen bonding, which can influence its reactivity and interaction with other molecules. Such compounds are often investigated for their pharmacological properties, including potential roles as enzyme inhibitors or in other therapeutic applications. Overall, the unique structural features of this compound make it a subject of interest in medicinal chemistry and drug development.

Formula: C₁₆H₁₆N₄O₃

InChI: InChI=1S/C16H16N4O3/c1-23-15(22)10-5-2-9(3-6-10)4-7-11-8-18-13-12(11)14(21)20-16(17)19-13/h2-3,5-6,8H,4,7H2,1H3,(H4,17,18,19,20,21)

InChI key: InChIKey=GDEKSBCRJKAARB-UHFFFAOYSA-N

SMILES: C(CC1=CC=C(C(OC)=O)C=C1)C=2C3=C(NC2)NC(N)=NC3=O

Synonyms:

• 1H-Pyrrolo[2,3-d]pyrimidine, benzoic acid deriv.
• Methyl 4-[2-(2-Amino-4-Oxo-1,7-Dihydropyrrolo[4,5-E]Pyrimidin-5-Yl)Ethyl]Benzoate
• Methyl 4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate
• Methyl 4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate
• Methyl 4-[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate
• benzoic acid, 4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]-, methyl ester
• benzoic acid, 4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]-, methyl ester

Benzoic acid, 4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]-, methyl ester

CAS: 155405-80-4

Formula: C₁₆H₁₆N₄O₃

Purity: 98%

Color and Shape: Solid

Molecular weight: 312.3232

Ref: IN-DA001NVI

Methyl 4-(2-(2-Amino-4-Oxo-4,7-Dihydro-3H-Pyrrolo[2,3-d]Pyrimidin-5-yl)Ethyl)Benzoate

CAS: 155405-80-4

Methyl 4-(2-(2-Amino-4-Oxo-4,7-Dihydro-3H-Pyrrolo[2,3-d]Pyrimidin-5-yl)Ethyl)Benzoate

Purity: 99%

Molecular weight: 312.32g/mol

Ref: 54-OR1013826

Methyl 4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzoate

CAS: 155405-80-4

Purity: 95.0%

Molecular weight: 312.3290100097656

Ref: 10-F213271

Methyl 4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate

CAS: 155405-80-4

Formula: C₁₆H₁₆N₄O₃

Purity: >98.0%(T)(HPLC)

Color and Shape: White to Light yellow to Light orange powder to crystal

Molecular weight: 312.33

Ref: 3B-M2426

Methyl 4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate

CAS: 155405-80-4

Color and Shape: Neat

Ref: 86-MM1301.04

Pemetrexed Impurity 9

CAS: 155405-80-4

Formula: C₁₆H₁₆N₄O₃

Molecular weight: 312.33

Ref: 4Z-P-6827

Pemetrexed acid methyl ester

Controlled Product

CAS: 155405-80-4

Applications An intermediate in the preparation of Pemetrexed Disodium (P219500) and its derivatives as anticancer agents.
References Min, T. et al.: Med. Chem. Res., 18, 495 (2009); Ma, Y. et al.: Zhong. Xin. Zaz., 16, 134 (2007);

Formula: C₁₆H₁₆N₄O₃

Color and Shape: Neat

Molecular weight: 312.32

Ref: TR-A604950

Methyl 4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzoate

CAS: 155405-80-4

Methyl 4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzoate is a prodrug that is hydrolyzed to form the active drug pemetrexed disodium. The drug has been shown to be effective for the treatment of cancer and has been used in clinical trials for patients with lung cancer. The conversion of this prodrug to its active form occurs through a hydrolysis reaction at high temperature and by saponification with sodium hydroxide. Methyl 4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3 - d]pyrimidin -5 -yl)ethyl)benzoate can also be converted into its active form by enzymatic action using ester

Purity: Min. 95%

Ref: 3D-FM41972