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KRAS G12C-IN-70

CAT: 0013-GTR19263134-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19263134-01Size:50 mg
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Description
KRAS G12C-IN-70 is a selective inhibitor targeting the KRAS G12C mutant. It disrupts downstream signaling pathways mediated by KRAS G12C, such as RAF-MEK-ERK, thereby inhibiting tumor cell proliferation. KRAS G12C-IN-70 is a promising candidate for research related to tumors associated with KRAS G12C mutations, including non-small cell lung cancer and colorectal cancer.
CAS Number
2923865-76-1
Field of Research
Signal Transduction
Smiles
ClC=1C2=C3C (C (=O) N4[C@] (CCN3N1) (CN (C (C=C) =O) CC4) [H]) =CC (F) =C2C5=C6C (SC (N) =C6C#N) =C (F) C=C5
Molecular Formula
C26H19ClF2N6O2S
Molecular Weight
552.98
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-amino-4-[(8R)-13-chloro-16-fluoro-2-oxo-6-prop-2-enoyl-3,6,11,12-tetrazatetracyclo[9.6.1.03,8.014,18]octadeca-1(17),12,14(18),15-tetraen-15-yl]-7-fluoro-1-benzothiophene-3-carbonitrile
CAS Number2923865-76-1
PubChem CID170258459
IUPAC Name2-amino-4-[(8R)-13-chloro-16-fluoro-2-oxo-6-prop-2-enoyl-3,6,11,12-tetrazatetracyclo[9.6.1.03,8.014,18]octadeca-1(17),12,14(18),15-tetraen-15-yl]-7-fluoro-1-benzothiophene-3-carbonitrile
Molecular FormulaC26H19ClF2N6O2S
Molecular Weight553.0
XLogP4.8
Topological Polar Surface Area136
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count38
Formal Charge0
Complexity1050
SMILES
C=CC(=O)N1CCN2[C@@H](C1)CCN3C4=C(C(=C(C=C4C2=O)F)C5=C6C(=C(SC6=C(C=C5)F)N)C#N)C(=N3)Cl
InChI
InChI=1S/C26H19ClF2N6O2S/c1-2-18(36)33-7-8-34-12(11-33)5-6-35-22-14(26(34)37)9-17(29)20(21(22)24(27)32-35)13-3-4-16(28)23-19(13)15(10-30)25(31)38-23/h2-4,9,12H,1,5-8,11,31H2/t12-/m1/s1
InChIKey
OGCZIFCMYITYON-GFCCVEGCSA-N
Chemical Structure
2D Structure
2D structure of 2-amino-4-[(8R)-13-chloro-16-fluoro-2-oxo-6-prop-2-enoyl-3,6,11,12-tetrazatetracyclo[9.6.1.03,8.014,18]octadeca-1(17),12,14(18),15-tetraen-15-yl]-7-fluoro-1-benzothiophene-3-carbonitrile
CAS: 2923865-76-1
CID: 170258459
Formula: C26H19ClF2N6O2S
MW: 553.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight553.0
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass552.0946791
Monoisotopic Mass552.0946791
Topological Polar Surface Area136 Ų
Heavy Atom Count38
Formal Charge0
Complexity1050
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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