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KRAS inhibitor-15

CAT: 0931-T62737-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T62737-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2230873-75-1
Target
Ras, Others, Kras
Related Pathways
MAPK, GPCR/G Protein, Others
Bioactivity
KRAS inhibitor-15 (compound 3-19) is a potent inhibitor of KRAS G12C with an IC50 of 0.954 μM. It exhibits p-ERK inhibition in MIA PaCA-2 and A549 cells with IC50s of 2.03 μM and >33.3 μM, respectively. KRAS inhibitor-15 has potential for study in pancreatic, colorectal, and lung cancers.
Smiles
FC=1C=2C(=C(SN2)N3CCN(C(C=C)=O)CC3)C=C(Cl)C1C4=C(Cl)C=CC(N)=C4
Molecular Formula
C20H17Cl2FN4OS
Molecular Weight
451.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

KRAS inhibitor-15
CAS Number2230873-75-1
PubChem CID135148832
IUPAC Name1-[4-[6-(5-amino-2-chlorophenyl)-5-chloro-7-fluoro-2,1-benzothiazol-3-yl]piperazin-1-yl]prop-2-en-1-one
Molecular FormulaC20H17Cl2FN4OS
Molecular Weight451.3
XLogP4.9
Topological Polar Surface Area90.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity623
SMILES
C=CC(=O)N1CCN(CC1)C2=C3C=C(C(=C(C3=NS2)F)C4=C(C=CC(=C4)N)Cl)Cl
InChI
InChI=1S/C20H17Cl2FN4OS/c1-2-16(28)26-5-7-27(8-6-26)20-13-10-15(22)17(18(23)19(13)25-29-20)12-9-11(24)3-4-14(12)21/h2-4,9-10H,1,5-8,24H2
InChIKey
RIJPTYRYUVYJJH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of KRAS inhibitor-15
CAS: 2230873-75-1
CID: 135148832
Formula: C20H17Cl2FN4OS
MW: 451.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight451.3
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass450.0484159
Monoisotopic Mass450.0484159
Topological Polar Surface Area90.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity623
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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Alternative Products

CatalogName
GTR19185851-01KRAS inhibitor-15
MBS3842911-01KRAS G12C inhibitor 15
HY-147595KRAS G12D inhibitor 15
A18447-5KRAS G12C inhibitor 15 5mg
A18447-25KRAS G12C inhibitor 15 25mg
A18447-100KRAS G12C inhibitor 15 100mg
A18447-50KRAS G12C inhibitor 15 50mg
A18447-10KRAS G12C inhibitor 15 10mg
A18447-1KRAS G12C inhibitor 15 1mg
GTR19234826-01Pan-KRAS-IN-15

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