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K-7174

CAT: 0931-T11742-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T11742-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
191089-59-5
Target
Apoptosis, IL Receptor, Proteasome, TNF
Related Pathways
Apoptosis, Immunology/Inflammation, Proteases/Proteasome, Ubiquitination
Purity
0.9855
Bioactivity
K-7174 is a novel cell adhesion inhibitor; inhibits the expression of vascular cell adhesion molecule-1 (VCAM-1) induced by either IL-1β or TNF-α.
Smiles
O(C)C1=C(OC)C=C(/C=C/CCCN2CCN(CCC/C=C/C3=CC(OC)=C(OC)C(OC)=C3)CCC2)C=C1OC
Molecular Formula
C33H48N2O6
Molecular Weight
568.74
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

K-7174

inhibits binding of monocytes to cytokine-stimulated endothelial cells; structure in first source

CAS Number191089-59-5
PubChem CID9874191
IUPAC Name1,4-bis[(E)-5-(3,4,5-trimethoxyphenyl)pent-4-enyl]-1,4-diazepane
Molecular FormulaC33H48N2O6
Molecular Weight568.7
XLogP6.2
Topological Polar Surface Area61.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count16
Heavy Atom Count41
Formal Charge0
Complexity663
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C/CCCN2CCN(CCC2)CCC/C=C/C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C33H48N2O6/c1-36-28-22-26(23-29(37-2)32(28)40-5)14-9-7-11-16-34-18-13-19-35(21-20-34)17-12-8-10-15-27-24-30(38-3)33(41-6)31(25-27)39-4/h9-10,14-15,22-25H,7-8,11-13,16-21H2,1-6H3/b14-9+,15-10+
InChIKey
JXXCDAKRSXICGM-AOEKMSOUSA-N
Chemical Structure
2D Structure
2D structure of K-7174
CAS: 191089-59-5
CID: 9874191
Formula: C33H48N2O6
MW: 568.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight568.7
XLogP36.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count16
Exact Mass568.35123726
Monoisotopic Mass568.35123726
Topological Polar Surface Area61.9 Ų
Heavy Atom Count41
Formal Charge0
Complexity663
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes