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SOF-436

CAT: 0804-HY-173341Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-173341Size:1 Each
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Description
SOF-436 is a KRAS inhibitor that inhibits SOS1-mediated KRAS nucleotide exchange (IC50 = 60 μM) and the binding of KRAS to the effector protein RAF. SOF-436 can be used in cancer research[1].
CAS Number
2224491-20-5
UNSPSC
12352005
Target
Ras
Related Pathways
GPCR/G Protein; MAPK/ERK Pathway
Field of Research
Cancer
Smiles
O=S(C1=CC(S(F)(=O)=O)=CC=C1)(NC2=CC(F)=C(C3CC3)C=C2)=O
Molecular Formula
C15H13F2NO4S2
Molecular Weight
373.39
References & Citations
[1]Landgraf A, et al. Small-Molecule KRAS Inhibitors by Tyrosine Covalent Bond Formation. ChemMedChem. 2025 Mar 18:e202400624.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

3-[(4-Cyclopropyl-3-fluorophenyl)sulfamoyl]benzene-1-sulfonyl fluoride
CAS Number2224491-20-5
PubChem CID136551521
IUPAC Name3-[(4-cyclopropyl-3-fluorophenyl)sulfamoyl]benzenesulfonyl fluoride
Molecular FormulaC15H13F2NO4S2
Molecular Weight373.4
XLogP3.2
Topological Polar Surface Area97.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity652
SMILES
C1CC1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC(=CC=C3)S(=O)(=O)F)F
InChI
InChI=1S/C15H13F2NO4S2/c16-15-8-11(6-7-14(15)10-4-5-10)18-24(21,22)13-3-1-2-12(9-13)23(17,19)20/h1-3,6-10,18H,4-5H2
InChIKey
OHRPRMXMZGBDMS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-[(4-Cyclopropyl-3-fluorophenyl)sulfamoyl]benzene-1-sulfonyl fluoride
CAS: 2224491-20-5
CID: 136551521
Formula: C15H13F2NO4S2
MW: 373.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight373.4
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass373.02540657
Monoisotopic Mass373.02540657
Topological Polar Surface Area97.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity652
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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