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Dabrafenib

CAS No.:
1195765-45-7
Catalog Number:
AG000IYR
Molecular Formula:
C23H20F3N5O2S2
Molecular Weight:
519.5624
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
95%
In Stock USA
United States
$71
- +
25mg
95%
In Stock USA
United States
$122
- +
100mg
95%
In Stock USA
United States
$228
- +
250mg
95%
In Stock USA
United States
$262
- +
Product Description
Catalog Number:
AG000IYR
Chemical Name:
Dabrafenib
CAS Number:
1195765-45-7
Molecular Formula:
C23H20F3N5O2S2
Molecular Weight:
519.5624
MDL Number:
MFCD17215684
IUPAC Name:
N-[3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide
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)
InChI Key:
BFSMGDJOXZAERB-UHFFFAOYSA-N
SMILES:
Nc1nccc(n1)c1sc(nc1c1cccc(c1F)NS(=O)(=O)c1c(F)cccc1F)C(C)(C)C
EC Number:
689-166-9
UNII:
QGP4HA4G1B
Properties
Complexity:
817  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
519.101g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
519.561g/mol
Monoisotopic Mass:
519.101g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  
Literature
Title Journal
Antiseptic effects of dabrafenib on TGFBIp-induced septic responses. Chemico-biological interactions 20171225
Anti-inflammatory effects of dabrafenib on polyphosphate-mediated vascular disruption. Chemico-biological interactions 20160825
Optimising the combination dosing strategy of abemaciclib and vemurafenib in BRAF-mutated melanoma xenograft tumours. British journal of cancer 20160315
Paradoxical activation of MEK/ERK signaling induced by B-Raf inhibition enhances DR5 expression and DR5 activation-induced apoptosis in Ras-mutant cancer cells. Scientific reports 20160101
Clinical development of dabrafenib in BRAF mutant melanoma and other malignancies. Expert opinion on drug metabolism & toxicology 20130701
BRAF inhibitor activity in V600R metastatic melanoma. European journal of cancer (Oxford, England : 1990) 20130301
BRAF inhibition and beyond in advanced melanoma. Lancet (London, England) 20120728
Dabrafenib in BRAF-mutated metastatic melanoma: a multicentre, open-label, phase 3 randomised controlled trial. Lancet (London, England) 20120728
Panniculitis with arthralgia in patients with melanoma treated with selective BRAF inhibitors and its management. Archives of dermatology 20120301
Small molecule inhibitors of BRAF in clinical trials. Bioorganic & medicinal chemistry letters 20120115
Overcoming metastatic melanoma with BRAF inhibitors. Archives of pharmacal research 20110501
Clinical efficacy of a RAF inhibitor needs broad target blockade in BRAF-mutant melanoma. Nature 20100930
Properties