CAS: 137281-39-1 - 4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid

Formula: C₁₅H₁₄N₄O₃

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)

InChI key: InChIKey=AIZPFZIKHIJCQX-UHFFFAOYSA-N

SMILES: O=C(O)C1=CC=C(C=C1)CCC2=CNC=3NC(=NC(=O)C23)N

Synonyms:

• 1H-Pyrrolo[2,3-d]pyrimidine, benzoic acid deriv.
• 4-(2-(2-Amino-4,7-Dihydro-4-Oxo-1H-Pyrrol(2,3-D)Pyrimidin-5-Yl)Ethyl)Benzoic Acid
• 4-(2-(2-amino-4-oxo-4,7-dihydro-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-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzoic acid
• 4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pyrrol[2,3-d]pyrimodin-5-yl)ethyl]benzoic Acid
• 4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic Acid
• 4-[2-(2-Amino-4,7-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
• 4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-5-yl)ethyl]benzoic acid
• Benzoic acid, 4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]-
• Benzoic acid, 4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]-
• Pemetrexed acid

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

CAS: 137281-39-1

• Formula: C₁₅H₁₄N₄O₃
• Purity: >98.0%(T)(HPLC)
• Color and Shape: White to Gray to Dark blue powder to crystal
• Molecular weight: 298.30

Pemetrexed Acid (4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzoic acid)

CAS: 137281-39-1

Compounds containing a pyrimidine ring, whether or not hydrogenated, or piperazine ring in the structure, …

• Formula: C₁₅H₁₄N₄O₃
• Color and Shape: Off-White Solid
• Molecular weight: 298.10659

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

CAS: 137281-39-1

• Formula: C₁₅H₁₄N₄O₃
• Purity: 98%
• Color and Shape: Solid
• Molecular weight: 298.2967

Pemetrexed Impurity 11

CAS: 137281-39-1

• Formula: C₁₅H₁₄N₄O₃
• Color and Shape: Off-White Solid
• Molecular weight: 298.30

4-[2-(2-Amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic Acid

CAS: 137281-39-1

• Formula: C₁₅H₁₄N₄O₃
• Color and Shape: Neat
• Molecular weight: 298.30

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

CAS: 137281-39-1

• Formula: C₁₅H₁₄N₄O₃
• Color and Shape: Off-White
• Molecular weight: 298.30

4-(2-(2-Amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzoic acid

CAS: 137281-39-1

• Purity: 95.0%
• Color and Shape: Solid, White to bluish grey powder
• Molecular weight: 298.302001953125

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

CAS: 137281-39-1

Intermediate in the synthesis of pemetrexed disodium

• Formula: C₁₅H₁₄N₄O₃
• Purity: Min. 95%
• Color and Shape: Powder
• Molecular weight: 298.3 g/mol