| Identification | More | [Name]
4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pymol[2,3-d]pyrimodin-5-yl)ethyl]benzoic acid | [CAS]
137281-39-1 | [Synonyms]
4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic Acid
4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo(2,3-d)pyrimidin-5-yl)ethyl)benzoic acid (intermediate of pemetrexed)
4-[2-(2-AMINO-4,7-DIHYDRO-4-OXO-1H-PYMOL[2,3-D]PYRIMODIN-5-YL)ETHYL]BENZOIC ACID
4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]-Benzoic Acid
4-[2-（2-Amino-4-oxo-4,7-Dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-yl）ethyl]benzoic acid | [EINECS(EC#)]
429-790-9 | [Molecular Formula]
C15H14N4O3 | [MDL Number]
29335990 | [Molecular Weight]
298.297 | [MOL File]
137281-39-1.mol | [References]
Musa, Klefah A. K., and L. A. Eriksson. "Theoretical assessment of naphazoline redoxchemistry and photochemistry. " Journal of Physical Chemistry B 111.15(2007):3977-81.
Podder, A., J. K. Dattagupta, and N. N. Saha. "The crystal and molecular structure of an α-adrenergic agonist – naphazoline hydrochloride."Acta Crystallographica37.a1(2001):C70-C70.
https://www.drugbank.ca/drugs/DB06711
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| Chemical Properties | Back Directory | [Appearance]
Pale Pink Solid | [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 | [Usage]
Pemetrexed intermediate | [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) |
| Hazard Information | Back Directory | [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 e |
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