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SOF-436

CAT: 0013-GTR19258398-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19258398-01Size:10 mg
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Description
SOF-436 is a KRAS inhibitor that can suppress SOS1-mediated KRAS nucleotide exchange (IC50 = 60 μM) and inhibit the interaction between KRAS and the effector protein RAF. SOF-436 is applicable to cancer research.
CAS Number
2224491-20-5
Field of Research
Pharmacology & Drug Discovery, Signal Transduction
Smiles
O=S (=O) (F) C1=CC=CC (=C1) S (=O) (=O) NC2=CC=C (C (F) =C2) C3CC3
Molecular Formula
C15H13F2NO4S2
Molecular Weight
373.395
Storage Conditions
-20°C
Notes
For research use only.

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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