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SHP2 inhibitor LY6

CAT: 0013-GTR19184616-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19184616-01Size:25 mg
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Description
LY6 is a potent and selective SHP2 inhibitor with an IC50 of 9.8 μM. It effectively blocks SHP2-mediated signaling pathways, suppressing cellular proliferation in vitro, and is a valuable tool for investigating oncogenic RAS pathway signaling in cancer research.
CAS Number
2296718-09-5
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
O=C1N (C=2C (N1) =CC=CC2) C=3CN (CC4=C (OCC) C=C (O) C (C (/C=C/C5=C (Cl) C=C (Cl) C=C5) =O) =C4) CCC3
Molecular Formula
C30H27Cl2N3O4
Molecular Weight
564.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

SHP2 inhibitor LY6
CAS Number2296718-09-5
PubChem CID137796282
IUPAC Name3-[1-[[5-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]-2-ethoxy-4-hydroxyphenyl]methyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-benzimidazol-2-one
Molecular FormulaC30H27Cl2N3O4
Molecular Weight564.5
XLogP6.1
Topological Polar Surface Area82.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count39
Formal Charge0
Complexity945
SMILES
CCOC1=CC(=C(C=C1CN2CCC=C(C2)N3C4=CC=CC=C4NC3=O)C(=O)/C=C/C5=C(C=C(C=C5)Cl)Cl)O
InChI
InChI=1S/C30H27Cl2N3O4/c1-2-39-29-16-28(37)23(27(36)12-10-19-9-11-21(31)15-24(19)32)14-20(29)17-34-13-5-6-22(18-34)35-26-8-4-3-7-25(26)33-30(35)38/h3-4,6-12,14-16,37H,2,5,13,17-18H2,1H3,(H,33,38)/b12-10+
InChIKey
KXGGLZVQMDYPEO-ZRDIBKRKSA-N
Chemical Structure
2D Structure
2D structure of SHP2 inhibitor LY6
CAS: 2296718-09-5
CID: 137796282
Formula: C30H27Cl2N3O4
MW: 564.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight564.5
XLogP36.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass563.1378617
Monoisotopic Mass563.1378617
Topological Polar Surface Area82.1 Ų
Heavy Atom Count39
Formal Charge0
Complexity945
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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