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BRAF V600E/CRAF-IN-1

CAT: 0013-GTR19185204-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19185204-01Size:25 mg
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Description
BRAF V600E/CRAF-IN-1 is a potent, selective inhibitor of BRAF V600E and CRAF kinases. It induces G0/G1 phase cell cycle arrest and apoptosis in HCT-116 colon cancer cells in vitro, showing potential for oncology research in both cellular and animal models of RAF-driven cancers.
CAS Number
2499499-56-6
Field of Research
Signal Transduction
Smiles
O (C) C=1C2=C (N=C (NC3=CC (NC (=O) C4=CC (C (F) (F) F) =CC (C (F) (F) F) =C4) =CC=C3) C=C2) C=CC1
Molecular Formula
C25H17F6N3O2
Molecular Weight
505.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Braf V600E/craf-IN-1
CAS Number2499499-56-6
PubChem CID162664089
IUPAC NameN-[3-[(5-methoxyquinolin-2-yl)amino]phenyl]-3,5-bis(trifluoromethyl)benzamide
Molecular FormulaC25H17F6N3O2
Molecular Weight505.4
XLogP6.6
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count36
Formal Charge0
Complexity726
SMILES
COC1=CC=CC2=C1C=CC(=N2)NC3=CC(=CC=C3)NC(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C25H17F6N3O2/c1-36-21-7-3-6-20-19(21)8-9-22(34-20)32-17-4-2-5-18(13-17)33-23(35)14-10-15(24(26,27)28)12-16(11-14)25(29,30)31/h2-13H,1H3,(H,32,34)(H,33,35)
InChIKey
ZOFPYTOXNJKYQJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Braf V600E/craf-IN-1
CAS: 2499499-56-6
CID: 162664089
Formula: C25H17F6N3O2
MW: 505.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight505.4
XLogP36.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass505.12249577
Monoisotopic Mass505.12249577
Topological Polar Surface Area63.3 Ų
Heavy Atom Count36
Formal Charge0
Complexity726
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

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