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Dabrafenib

CAT: 1410-M10687-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1410-M10687-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Dabrafenib (GSK2118436) is a mutant BRAFV600 specific inhibitor with IC50 of 0.8 nM in cell-free assays, with 4- and 6-fold less potency against B-Raf (wt) and c-Raf, respectively.
CAS Number
1195765-45-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
519.56
Molecular Formula
C23H20F3N5O2S2
Notes
Research use only, not for human use.
Receptor
B-Raf| B-Raf (V600E) | C-Raf

Chemical Information

Dabrafenib

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.

CAS Number1195765-45-7
PubChem CID44462760
IUPAC NameN-[3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide
Molecular FormulaC23H20F3N5O2S2
Molecular Weight519.6
XLogP4.8
Topological Polar Surface Area147
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity817
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)F
InChI
InChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29)
InChIKey
BFSMGDJOXZAERB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dabrafenib
CAS: 1195765-45-7
CID: 44462760
Formula: C23H20F3N5O2S2
MW: 519.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight519.6
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass519.10105173
Monoisotopic Mass519.10105173
Topological Polar Surface Area147 Ų
Heavy Atom Count35
Formal Charge0
Complexity817
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
D072-25MGDabrafenib

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