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CAS 2133360-00-4

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2-[2-[4-[[6-(3,5-Dimethyl-4-isoxazolyl)-1,4-dihydro-1-methyl-2-oxo-4-phenyl-3(2H)-quinazolinyl]methyl]-1H-1,2,3-triazol-1-yl]ethoxy]-N-[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]acetamide

Description:
The chemical substance known as 2-[2-[4-[[6-(3,5-Dimethyl-4-isoxazolyl)-1,4-dihydro-1-methyl-2-oxo-4-phenyl-3(2H)-quinazolinyl]methyl]-1H-1,2,3-triazol-1-yl]ethoxy]-N-[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]acetamide, with the CAS number 2133360-00-4, is a complex organic compound characterized by its multi-ring structure and various functional groups. This compound features a quinazoline core, which is known for its biological activity, and incorporates isoxazole and triazole moieties that may contribute to its pharmacological properties. The presence of piperidine and isoindole structures suggests potential interactions with biological targets, making it of interest in medicinal chemistry. Its molecular architecture indicates potential for diverse reactivity and solubility characteristics, which are essential for drug development. The specific arrangement of substituents and the overall stereochemistry can significantly influence its biological activity, making it a candidate for further investigation in therapeutic applications.
Formula:C40H37N9O8
InChI:InChI=1S/C40H37N9O8/c1-22-34(23(2)57-44-22)25-12-13-30-28(18-25)36(24-8-5-4-6-9-24)48(40(55)46(30)3)20-26-19-47(45-43-26)16-17-56-21-33(51)41-29-11-7-10-27-35(29)39(54)49(38(27)53)31-14-15-32(50)42-37(31)52/h4-13,18-19,31,36H,14-17,20-21H2,1-3H3,(H,41,51)(H,42,50,52)
InChI key:InChIKey=FXNACIMQXOPNJG-UHFFFAOYSA-N
SMILES:C(N1C(C=2C(N(C)C1=O)=CC=C(C2)C=3C(C)=NOC3C)C4=CC=CC=C4)C5=CN(CCOCC(NC6=C7C(C(=O)N(C7=O)C8C(=O)NC(=O)CC8)=CC=C6)=O)N=N5
Synonyms:
  • 2-[2-[4-[[6-(3,5-Dimethyl-4-isoxazolyl)-1,4-dihydro-1-methyl-2-oxo-4-phenyl-3(2H)-quinazolinyl]methyl]-1H-1,2,3-triazol-1-yl]ethoxy]-N-[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]acetamide
  • Acetamide, 2-[2-[4-[[6-(3,5-dimethyl-4-isoxazolyl)-1,4-dihydro-1-methyl-2-oxo-4-phenyl-3(2H)-quinazolinyl]methyl]-1H-1,2,3-triazol-1-yl]ethoxy]-N-[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]-
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