CAS 139987-54-5: (2S)-2-[5-[[(1,2-Dihydro-3-methyl-1-oxobenzo[f]quinazolin-9-yl)methyl]amino]-1,3-dihydro-1-oxo-2H-isoindol-2-yl]pentanedioic acid

Description: The chemical substance known as (2S)-2-[5-[[(1,2-Dihydro-3-methyl-1-oxobenzo[f]quinazolin-9-yl)methyl]amino]-1,3-dihydro-1-oxo-2H-isoindol-2-yl]pentanedioic acid, with the CAS number 139987-54-5, is a complex organic compound characterized by its multi-ring structure and various functional groups. It features a pentanedioic acid backbone, which contributes to its potential as a bioactive molecule. The presence of a quinazoline moiety suggests possible interactions with biological targets, making it of interest in medicinal chemistry. The stereochemistry indicated by the (2S) configuration implies specific spatial arrangements that can influence the compound's biological activity and pharmacokinetics. Additionally, the compound's structure includes multiple nitrogen atoms, which may enhance solubility and reactivity. Overall, this substance is likely to exhibit unique chemical properties and potential therapeutic applications, although detailed studies would be necessary to fully elucidate its behavior in biological systems and its potential uses in pharmaceuticals.

Formula: C₂₇H₂₄N₄O₆

InChI: InChI=1S/C27H24N4O6/c1-14-29-21-7-4-16-3-2-15(10-20(16)24(21)25(34)30-14)12-28-18-5-6-19-17(11-18)13-31(26(19)35)22(27(36)37)8-9-23(32)33/h2-7,10-11,22,28H,8-9,12-13H2,1H3,(H,32,33)(H,36,37)(H,29,30,34)/t22-/m0/s1

InChI key: InChIKey=BRVFNEZMTRVUGW-QFIPXVFZSA-N

SMILES: O=C1N=C(NC=2C=CC3=CC=C(C=C3C12)CNC4=CC=C5C(=O)N(CC5=C4)C(C(=O)O)CCC(=O)O)C

Synonyms:

• (2S)-2-(5-{[(3-methyl-1-oxo-1,4-dihydrobenzo[f]quinazolin-9-yl)methyl]amino}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid
• (2S)-2-[5-[[(1,2-Dihydro-3-methyl-1-oxobenzo[f]quinazolin-9-yl)methyl]amino]-1,3-dihydro-1-oxo-2H-isoindol-2-yl]pentanedioic acid
• (2s)-2-(5-[[(3-Methyl-1-oxo-1,2-dihydrobenzo[f]quinazolin-9-yl)methyl]amino]-1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid
• (S)-2-(5(((1,2-Dihydro-3-methyl-1-oxobenzo[f]quinazolin-9-yl)methyl)amino)1-oxo-2-isoindolinyl)glutaric acid
• (s)-2-(5-(((3-Methyl-1-oxo-1,2-dihydrobenzo[f]quinazolin-9-yl)methyl)amino)-1-oxoisoindolin-2-yl)pentanedioic acid
• 1843U89
• Benzo[f]quinazoline, pentanedioic acid deriv.
• Bw-1843U89
• Gs-7904
• Gw-1843
• Gw-1843U89
• Osi 7904L
• Osi-7904
• Pentanedioic acid, 2-[5-[[(1,2-dihydro-3-methyl-1-oxobenzo[f]quinazolin-9-yl)methyl]amino]-1,3-dihydro-1-oxo-2H-isoindol-2-yl]-, (2S)-
• Pentanedioic acid, 2-[5-[[(1,2-dihydro-3-methyl-1-oxobenzo[f]quinazolin-9-yl)methyl]amino]-1,3-dihydro-1-oxo-2H-isoindol-2-yl]-, (S)-

(2S)-2-[5-[[(1,2-Dihydro-3-methyl-1-oxobenzo[f]quinazolin-9-yl)methyl]amino]-1,3-dihydro-1-oxo-2H-isoindol-2-yl]pentanedioic acid

CAS: 139987-54-5

• Formula: C₂₇H₂₄N₄O₆
• Color and Shape: Solid
• Molecular weight: 500.5027

OSI-7904L free acid

CAS: 139987-54-5

OSI-7904L is a folate-based thymidylate synthase inhibitor. It also has antimalarial and antitumor properties.

• Formula: C₂₇H₂₄N₄O₆
• Purity: 98%
• Color and Shape: Solid
• Molecular weight: 500.5

(S)-2-(5-(((3-Methyl-1-oxo-1,2-dihydrobenzo[f]quinazolin-9-yl)methyl)amino)-1-oxoisoindolin-2-yl)pentanedioic acid

CAS: 139987-54-5

(S)-2-(5-(((3-Methyl-1-oxo-1,2-dihydrobenzo[f]quinazolin-9-yl)methyl)amino)-1-oxoisoindolin-2-yl)pentanedioic acid is a pyrimidine compound that inhibits the enzyme thymidylate synthase. This leads to …

• Formula: C₂₇H₂₄N₄O₆
• Purity: Min. 95%
• Molecular weight: 500.5 g/mol