4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pymol[2,3-d]pyrimodin-5-yl)ethyl]benzoic acid Chemical Properties

Melting point:

>270°C (dec.)

Density 

1.55±0.1 g/cm3(Predicted)

storage temp. 

Keep in dark place,Inert atmosphere,Room temperature

solubility 

DMSO (Slightly), Methanol (Slightly, Heated)

form 

Solid

pka

4.30±0.10(Predicted)

color 

White to Pale Pink

InChI

InChI=1S/C15H14N4O3/c16-15-18-12-11(13(20)19-15)10(7-17-12)6-3-8-1-4-9(5-2-8)14(21)22/h1-2,4-5,7H,3,6H2,(H,21,22)(H4,16,17,18,19,20)

InChIKey

AIZPFZIKHIJCQX-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=CC=C(CCC2C3C(=O)NC(N)=NC=3NC=2)C=C1

CAS DataBase Reference

137281-39-1(CAS DataBase Reference)

Safety Information

Risk Statements 

36/37/38

Safety Statements 

26-36/37/39

HS Code 

29335990

4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pymol[2,3-d]pyrimodin-5-yl)ethyl]benzoic acid Usage And Synthesis

Description

4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pymol[2,3-d]pyrimodin-5-yl)ethyl]benzoic acid, as key intermediates of pemetrexed disodium, is used in the synthesis of antitumor drugs and is also an important chemical building block in drug development and analysis. Pemetrexed disodium is a multi-target antifolate metabolism antitumor drug, clinically used to treat diseases such as non-small cell lung cancer and malignant pleural mesothelioma.

Chemical Properties

Pale Pink Solid

Uses

Pemetrexed intermediate

Synthesis

Methyl 4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate was obtained from the dehydration condensation of its corresponding 2,4-diamino-6-hydroxypyrimidine and corresponding 2-bromoaldehyde under certain conditions, and the ester product obtained was hydrolyzed to carboxylic acid under alkaline conditions to obtain 4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3]pyrimidin-5-yl)ethyl]benzoic acid. 4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3]pyrimidin-5-yl)ethyl]benzoic acid.

4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pymol[2,3-d]pyrimodin-5-yl)ethyl]benzoic acid(137281-39-1)Related Product Information

• Pemetrexed Disodium Heptahydrate
• 3-Buten-1-ol
• Lithium bis(trimethylsilyl)amide
• Methyl 4-(4-hydroxybut-1-ynyl)benzoate
• Pemetrexed Impurity 17
• Methyl 4-(4-hydroxybutyl)benzoate
• Pemetrexed Impurity 11
• 3-Butyn-1-ol
• N-[4-[2-(2-AMino-4,5,6,7-tetrahydro-4,6-dioxo-1H-pyrrolo[2,3-d]pyriMidin-5-yl)ethyl]benzoyl]-L-glutaMic Acid
• Methyl 4-(4-oxobutyl)benzoate
• 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
• Gemcitabine hydrochloride
• Pemetrexed Disodium
• Pemetrexed disodium hemipentahydrate
• 4-[2’-(7’’-Deazaguanine)ethyl]benzoic Acid N-Hydroxysuccinimide Ester
• 2,4-Diamino-6-hydroxypyrimidine
• N-[4-[3-(2,6-DiaMino-1,4-dihydro-4-oxo-5-pyriMidinyl)-3-oxopropyl]benzoyl]-L-glutaMic Acid
• PeMetrexed IMpurity D