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LUT014

CAT: 0013-GTR19155875-06Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19155875-06Size:10 mg
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Description
LUT014 is a B-Raf inhibitor (IC50: 11.7 nM) and developed to decrease dose-limiting acneiform lesions associated with EGFR Inhibitors treatment.
CAS Number
2274819-46-2
Purity
>98% (HPLC)
Solubility
DMSO:50 mg/mL (94.61 mM; Need ultrasonic) ; H2O:< 0.1 mg/mL (insoluble)
Smiles
Cc1ccc2c (Nc3cccc (OC (F) (F) F) c3) nccc2c1Nc1ncccc1-c1ncnc2c1[nH]cn2
Molecular Formula
C27H19F3N8O
Molecular Weight
528.49
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Lut-014

BRAF Inhibitor LUT014 is a topically bioavailable small molecule inhibitor of serine/threonine-protein kinase B-raf (BRAF) protein with potential chemoprotective activity. Upon topical administration, BRAF inhibitor LUT014 targets and binds BRAF and, through the paradoxical effect of BRAF inhibition, induces mitogen-activated protein kinase (MAPK) signaling, which leads to the proliferation and migration of healthy human keratinocytes. This decreases dermal toxicities associated with epidermal growth factor (EGFR) inhibitor therapy. BRAF, a member of the raf family of serine/threonine protein kinases, plays a role in the regulation of MAPK/extracellular signal-regulated kinase (ERK) signaling pathways.

CAS Number2274819-46-2
PubChem CID138319775
IUPAC Name6-methyl-5-N-[3-(7H-purin-6-yl)-2-pyridinyl]-1-N-[3-(trifluoromethoxy)phenyl]isoquinoline-1,5-diamine
Molecular FormulaC27H19F3N8O
Molecular Weight528.5
XLogP6.2
Topological Polar Surface Area114
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Heavy Atom Count39
Formal Charge0
Complexity807
SMILES
CC1=C(C2=C(C=C1)C(=NC=C2)NC3=CC(=CC=C3)OC(F)(F)F)NC4=C(C=CC=N4)C5=C6C(=NC=N5)N=CN6
InChI
InChI=1S/C27H19F3N8O/c1-15-7-8-19-18(9-11-32-24(19)37-16-4-2-5-17(12-16)39-27(28,29)30)21(15)38-25-20(6-3-10-31-25)22-23-26(35-13-33-22)36-14-34-23/h2-14H,1H3,(H,31,38)(H,32,37)(H,33,34,35,36)
InChIKey
FZPYULHBUBXPIG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lut-014
CAS: 2274819-46-2
CID: 138319775
Formula: C27H19F3N8O
MW: 528.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight528.5
XLogP36.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass528.16339175
Monoisotopic Mass528.16339175
Topological Polar Surface Area114 Ų
Heavy Atom Count39
Formal Charge0
Complexity807
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
BA6539-10LUT014
A19449-10LUT014 10mg
A19449-1LUT014 1mg
A19449-100LUT014 100mg
A19449-50LUT014 50mg
A19449-25LUT014 25mg
A19449-5LUT014 5mg
A19449-10mM-DLUT014 10mM * 1mL in DMSO

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