CAS 2097938-69-5: 4-[7-(4-Chlorophenyl)-1,3,4,8,9,10,10a,11a-octahydro-9,9-dimethyl-2H,6H-pyrazino[2,1-b][1,3]benzoxazin-2-yl]-N-[[3-nitro-4-[[(tetrahydro-2H-pyran-4-yl)methyl]amino]phenyl]sulfonyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide

Description: The chemical substance with the name "4-[7-(4-Chlorophenyl)-1,3,4,8,9,10,10a,11a-octahydro-9,9-dimethyl-2H,6H-pyrazino[2,1-b][1,3]benzoxazin-2-yl]-N-[[3-nitro-4-[[(tetrahydro-2H-pyran-4-yl)methyl]amino]phenyl]sulfonyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide" and CAS number "2097938-69-5" is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as sulfonamide, nitro, and various heterocycles. This compound likely exhibits significant biological activity, potentially serving as a pharmaceutical agent or a research chemical. Its structural features suggest it may interact with specific biological targets, possibly influencing pathways related to cell signaling or enzyme activity. The presence of multiple aromatic rings and heteroatoms indicates potential for diverse interactions in biological systems. Additionally, the chlorophenyl and pyrrolo groups may enhance lipophilicity, affecting its pharmacokinetic properties. Overall, this compound represents a sophisticated design in medicinal chemistry, aimed at optimizing efficacy and selectivity for therapeutic applications.

Formula: C₄₅H₄₈ClN₇O₈S

InChI: InChI=1S/C45H48ClN7O8S/c1-45(2)22-36(29-3-5-31(46)6-4-29)37-26-52-16-15-51(27-42(52)61-41(37)23-45)32-7-9-35(40(20-32)60-33-19-30-11-14-47-43(30)49-25-33)44(54)50-62(57,58)34-8-10-38(39(21-34)53(55)56)48-24-28-12-17-59-18-13-28/h3-11,14,19-21,25,28,41-42,48H,12-13,15-18,22-24,26-27H2,1-2H3,(H,47,49)(H,50,54)

InChI key: InChIKey=YOPHZZVJJKWTNO-UHFFFAOYSA-N

SMILES: O=C(NS(=O)(=O)C1=CC=C(NCC2CCOCC2)C(=C1)N(=O)=O)C3=CC=C(C=C3OC=4C=NC=5NC=CC5C4)N6CCN7CC8=C(C=9C=CC(Cl)=CC9)CC(C)(C)CC8OC7C6

Synonyms:

• Benzamide, 4-[7-(4-chlorophenyl)-1,3,4,8,9,10,10a,11a-octahydro-9,9-dimethyl-2H,6H-pyrazino[2,1-b][1,3]benzoxazin-2-yl]-N-[[3-nitro-4-[[(tetrahydro-2H-pyran-4-yl)methyl]amino]phenyl]sulfonyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-
• 4-[7-(4-Chlorophenyl)-1,3,4,8,9,10,10a,11a-octahydro-9,9-dimethyl-2H,6H-pyrazino[2,1-b][1,3]benzoxazin-2-yl]-N-[[3-nitro-4-[[(tetrahydro-2H-pyran-4-yl)methyl]amino]phenyl]sulfonyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide

Venetoclax Impurity 1 ( 3,3'-Oxy-Venetoclax, Metabolite M27)

CAS: 2097938-69-5

• Formula: C₄₅H₄₈ClN₇O₈S
• Molecular weight: 882.43

Venetoclax-M27

CAS: 2097938-69-5

• Formula: C₄₅H₄₈ClN₇O₈S
• Color and Shape: Neat
• Molecular weight: 882.423

Venetoclax-M27

CAS: 2097938-69-5

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• Formula: C₄₅H₄₈ClN₇O₈S
• Purity: Min. 95%
• Molecular weight: 882.4 g/mol