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

Description: 4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid, with CAS number 137281-39-1, is a chemical compound characterized by its complex structure, which includes a benzoic acid moiety and a pyrrolopyrimidine derivative. This compound features an amino group, contributing to its potential as a bioactive molecule. It is likely to exhibit properties such as solubility in polar solvents due to the presence of the carboxylic acid group, while the aromatic ring may enhance its hydrophobic characteristics. The presence of the pyrrolopyrimidine structure suggests potential interactions with biological targets, making it of interest in medicinal chemistry. Its molecular structure indicates potential applications in pharmaceuticals, particularly in the development of therapeutic agents. Additionally, the compound's stability and reactivity can be influenced by factors such as pH and temperature, which are important considerations in both laboratory and industrial settings. Overall, this compound represents a unique blend of structural features that may confer specific biological activities.

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

Benzoic acid, 4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]- (9CI)

CAS: 137281-39-1

• Purity: 98%
• Molecular weight: 298.30g/mol

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