Dabrafenib
N-[3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide
Molecular Identity
Dabrafenib
N-[3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide
PubChem CID: 44462760
Dabrafenib is an organofluorine compound and antineoplastic agent, used as its mesylate salt in treatment of metastatic melanoma. It has a role as an anticoronaviral agent, an antineoplastic agent and a B-Raf inhibitor. It is a sulfonamide, an organofluorine compound, an aminopyrimidine and a member of 1,3-thiazoles.
2D Structure
Properties
C23H20F3N5O2S2
Molecular Formula
519.60
Molecular Weight
g/mol
519.1011
Exact Mass
Da
4.8
XLogP
Drug-like (Lipinski: < 5)
147
TPSA
May have limited oral absorption
2
H-Bond Donors
11
H-Bond Acceptors
817
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)FIsomeric SMILES
SMILES: CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)FSynonyms(20)
Dabrafenib1195765-45-7GSK2118436AGSK2118436GSK-2118436GSK-2118436AQGP4HA4G1BCHEBI:75045DTXSID20152499Benzenesulfonamide, N-[3-[5-(2-amino-4-pyrimidinyl)-2-(1,1-dimethylethyl)-4-thiazolyl]-2-fluorophenyl]-2,6-difluoro-N-[3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamideBENZENESULFONAMIDE, N-(3-(5-(2-AMINO-4-PYRIMIDINYL)-2-(1,1-DIMETHYLETHYL)-4-THIAZOLYL)-2-FLUOROPHENYL)-2,6-DIFLUORO-N-(3-(5-(2-AMINOPYRIMIDIN-4-YL)-2-TERT-BUTYL-1,3-THIAZOL-4-YL)-2-FLUOROPHENYL)-2,6-DIFLUOROBENZENESULFONAMIDEN-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzene-1-sulfonamideN-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Dabrafenib
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