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KRAS inhibitor-14

CAT: 0931-T63235-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T63235-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2230873-78-4
Target
Ras, Others, Kras
Related Pathways
GPCR/G Protein, Others, MAPK
Bioactivity
KRAS inhibitor-14 is a potent inhibitor of KRAS G12C (IC50: 0.249 μM) . KRAS inhibitor-14 exhibited p-ERK inhibition in MIA PaCA-2, A549 cells with IC50s of 1.12, >33.3 μM, respectively. KRAS inhibitor-14 has potential to be investigated 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(Cl)=CC(O)=C4
Molecular Formula
C20H15Cl3FN3O2S
Molecular Weight
486.77
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

KRAS inhibitor-14
CAS Number2230873-78-4
PubChem CID135148879
IUPAC Name1-[4-[5-chloro-6-(2,3-dichloro-5-hydroxyphenyl)-7-fluoro-2,1-benzothiazol-3-yl]piperazin-1-yl]prop-2-en-1-one
Molecular FormulaC20H15Cl3FN3O2S
Molecular Weight486.8
XLogP5.9
Topological Polar Surface Area84.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity657
SMILES
C=CC(=O)N1CCN(CC1)C2=C3C=C(C(=C(C3=NS2)F)C4=C(C(=CC(=C4)O)Cl)Cl)Cl
InChI
InChI=1S/C20H15Cl3FN3O2S/c1-2-15(29)26-3-5-27(6-4-26)20-12-9-13(21)16(18(24)19(12)25-30-20)11-7-10(28)8-14(22)17(11)23/h2,7-9,28H,1,3-6H2
InChIKey
ZCRFSHDFEGWLDB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of KRAS inhibitor-14
CAS: 2230873-78-4
CID: 135148879
Formula: C20H15Cl3FN3O2S
MW: 486.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight486.8
XLogP35.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass484.993459
Monoisotopic Mass484.993459
Topological Polar Surface Area84.9 Ų
Heavy Atom Count30
Formal Charge0
Complexity657
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
HY-146544KRAS inhibitor-14
HY-125872-01KRAS G12C inhibitor 14
MBS5804916KRAS G12D Inhibitor 14
GTR19262432-01Pan-KRAS-IN-14
HY-162983KRAS inhibitor-36
HY-151288KRAS inhibitor-21
HY-135865KRAS inhibitor-7
HY-176419KRAS inhibitor-42
HY-169312KRAS inhibitor-38
HY-162974KRAS inhibitor-34

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