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K811

CAT: 0013-GTR19208951-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208951-02Size:50 mg
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Description
K811 is a selective ASK1 inhibitor that extends survival in an ALS mouse model. It suppresses proliferation in high-ASK1 and HER2+ gastric cancer cell lines and reduces xenograft tumor growth in vivo by downregulating proliferation markers, supporting research in neurodegeneration and oncology.
CAS Number
1355228-38-4
Smiles
C (C) (C) N1C=2C (C (=O) C (C (NC3=CC=C (OC=4C5=C (C=C (OC) C (OC) =C5) N=NC4) C=C3) =O) =C1) =CC=CC2
Molecular Formula
C29H26N4O5
Molecular Weight
510.54
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 56644085
CAS Number1355228-38-4
PubChem CID56644085
IUPAC NameN-[4-(6,7-dimethoxycinnolin-4-yl)oxyphenyl]-4-oxo-1-propan-2-ylquinoline-3-carboxamide
Molecular FormulaC29H26N4O5
Molecular Weight510.5
XLogP4.3
Topological Polar Surface Area103
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count38
Formal Charge0
Complexity873
SMILES
CC(C)N1C=C(C(=O)C2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)OC4=CN=NC5=CC(=C(C=C54)OC)OC
InChI
InChI=1S/C29H26N4O5/c1-17(2)33-16-22(28(34)20-7-5-6-8-24(20)33)29(35)31-18-9-11-19(12-10-18)38-27-15-30-32-23-14-26(37-4)25(36-3)13-21(23)27/h5-17H,1-4H3,(H,31,35)
InChIKey
JVQKIXBAOVAPKB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 56644085
CAS: 1355228-38-4
CID: 56644085
Formula: C29H26N4O5
MW: 510.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight510.5
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass510.19031994
Monoisotopic Mass510.19031994
Topological Polar Surface Area103 Ų
Heavy Atom Count38
Formal Charge0
Complexity873
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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