CAS 1195765-47-9

N-[3-[5-(2-Amino-4-pyrimidinyl)-2-(1-methylethyl)-4-thiazolyl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide

Description:

N-[3-[5-(2-Amino-4-pyrimidinyl)-2-(1-methylethyl)-4-thiazolyl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide is a complex organic compound characterized by its multi-functional structure, which includes a sulfonamide group, multiple fluorine substituents, and a thiazole ring. This compound is notable for its potential biological activity, particularly in the field of medicinal chemistry, where it may serve as a lead compound for the development of pharmaceuticals. The presence of the amino and fluorine groups can influence its solubility, stability, and interaction with biological targets. Its thiazole and pyrimidine moieties suggest potential applications in targeting specific enzymes or receptors, making it of interest in drug discovery. The compound's molecular structure indicates it may exhibit unique electronic properties due to the arrangement of its heteroatoms and substituents, which can affect its reactivity and binding affinity in biological systems. Overall, this compound exemplifies the complexity and diversity of modern synthetic organic chemistry, particularly in the design of targeted therapeutic agents.

Formula: C₂₂H₁₈F₃N₅O₂S₂

InChI: InChI=1S/C22H18F3N5O2S2/c1-11(2)21-29-18(19(33-21)16-9-10-27-22(26)28-16)12-5-3-8-15(17(12)25)30-34(31,32)20-13(23)6-4-7-14(20)24/h3-11,30H,1-2H3,(H2,26,27,28)

InChI key: InChIKey=MQEHPCURISZMGR-UHFFFAOYSA-N

SMILES: FC1=C(C2=C(SC(C(C)C)=N2)C3=NC(N)=NC=C3)C=CC=C1NS(=O)(=O)C4=C(F)C=CC=C4F

Synonyms:

• Benzenesulfonamide, N-[3-[5-(2-amino-4-pyrimidinyl)-2-(1-methylethyl)-4-thiazolyl]-2-fluorophenyl]-2,6-difluoro-
• N-[3-[5-(2-Amino-4-pyrimidinyl)-2-(1-methylethyl)-4-thiazolyl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide

Dabrafenib Impurity 4

CAS: 1195765-47-9

Formula: C₂₂H₁₈F₃N₅O₂S₂

Molecular weight: 505.53

Ref: 4Z-D-108007

Desmethyl dabrafenib

CAS: 1195765-47-9

Desmethyl dabrafenib is a synthetic drug product that is used in research and development. It is an impurity standard for dabrafenib, a prodrug of dabrafenib which has been shown to inhibit the growth of cancer cells by inhibiting the synthesis of proteins. Desmethyl dabrafenib is metabolized through CYP3A4/5-mediated oxidation and glucuronidation. It also undergoes phase I metabolism through CYP1A2 and 2C19, leading to formation of a major metabolite with no activity. This compound has been shown to have natural sources in plants such as rhubarb and soybeans.

Formula: C₂₂H₁₈F₃N₅O₂S₂

Purity: Min. 95%

Molecular weight: 505.50 g/mol

Ref: 3D-VXB76547

Desmethyl Dabrafenib

CAS: 1195765-47-9

Formula: C₂₂H₁₈F₃N₅O₂S₂

Molecular weight: 505.53

Ref: ST-EA-CP-D127009