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Dabrafenib

CAT: 0931-T1903-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T1903-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1195765-45-7
Target
Raf
Related Pathways
MAPK
Purity
>99.99%
Bioactivity
Dabrafenib (GSK2118436A) is a Raf inhibitor that inhibits C-Raf and B-RafV600E (IC50=5/0.6 nM) and is ATP-competitive. Dabrafenib exhibits antitumor activity for the treatment of B-RafV600E-mutated melanoma.
Smiles
CC(C)(C)c1nc(c(s1)-c1ccnc(N)n1)-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F
Molecular Formula
C23H20F3N5O2S2
Molecular Weight
519.56
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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