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Dabrafenib Mesylate

CAT: 0572-TRC-D101005-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D101005-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1195768-06-9
Synonyms
Benzenesulfonamide, N-[3-[5-(2-amino-4-pyrimidinyl)-2-(1,1-dimethylethyl)-4-thiazolyl]-2-fluorophenyl]-2,6-difluoro-, methanesulfonate (1:1); Dabrafenib mesylate; GSK 2118436 methanesulfonate salt; GSK 2118436B; N-[3-[5-(2-Aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide methanesulfonic acid; GSK 2118436B
Hazard Statement
Causes skin irritation; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
CC(C)(C)c1nc(c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(s1)c4ccnc(N)n4.CS(=O)(=O)O
Molecular Formula
C23 H20 F3 N5 O2 S2 . C H4 O3 S
Molecular Weight
615.67
InChI
InChI=1S/C23H20F3N5O2S2.CH4O3S/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;1-5(2,3)4/h4-11,31H,1-3H3,(H2,27,28,29);1H3,(H,2,3,4)
Additionnal Information
IUPAC name: N-[3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;methanesulfonic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Dabrafenib Mesylate

Dabrafenib mesylate is a methanesulfonate (mesylate) salt prepared from equimolar amounts of dabrafenib and methanesulfonic acid. Used for treatment of metastatic melanoma. It has a role as an antineoplastic agent and a B-Raf inhibitor. It contains a dabrafenib.

CAS Number1195768-06-9
PubChem CID44516822
IUPAC NameN-[3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;methanesulfonic acid
Molecular FormulaC24H24F3N5O5S3
Molecular Weight615.7
Topological Polar Surface Area210
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count6
Heavy Atom Count40
Formal Charge0
Complexity910
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.CS(=O)(=O)O
InChI
InChI=1S/C23H20F3N5O2S2.CH4O3S/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;1-5(2,3)4/h4-11,31H,1-3H3,(H2,27,28,29);1H3,(H,2,3,4)
InChIKey
YKGMKSIHIVVYKY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dabrafenib Mesylate
CAS: 1195768-06-9
CID: 44516822
Formula: C24H24F3N5O5S3
MW: 615.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight615.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count6
Exact Mass615.08916689
Monoisotopic Mass615.08916689
Topological Polar Surface Area210 Ų
Heavy Atom Count40
Formal Charge0
Complexity910
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-14660A-01Dabrafenib (Mesylate)
445709-01Dabrafenib Mesylate
HY-14660AR-01Dabrafenib (Mesylate) (Standard)
A15059-50Dabrafenib Mesylate 50mg
A15059-10Dabrafenib Mesylate 10mg
A15059-5Dabrafenib Mesylate 5mg
A15059-100Dabrafenib Mesylate 100mg
A15059-500Dabrafenib Mesylate 500mg
A15059-25Dabrafenib Mesylate 25mg
A3347-10Dabrafenib Mesylate (GSK-2118436)

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