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191089-59-5 | 1H-1,4-Diazepine, hexahydro-1,4-bis[(4E)-5-(3,4,5-trimethoxyphenyl)-4-penten-1-yl]-
CAS No: 191089-59-5 Catalog No: AG002F0H MDL No:
Product Description
Catalog Number:
AG002F0H
Chemical Name:
1H-1,4-Diazepine, hexahydro-1,4-bis[(4E)-5-(3,4,5-trimethoxyphenyl)-4-penten-1-yl]-
CAS Number:
191089-59-5
Molecular Formula:
C33H48N2O6
Molecular Weight:
568.7440
IUPAC Name:
1,4-bis[(E)-5-(3,4,5-trimethoxyphenyl)pent-4-enyl]-1,4-diazepane
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+
InChI Key:
JXXCDAKRSXICGM-AOEKMSOUSA-N
SMILES:
COc1cc(/C=C/CCCN2CCCN(CC2)CCC/C=C/c2cc(OC)c(c(c2)OC)OC)cc(c1OC)OC
UNII:
36376CA57N
Properties
Complexity:
663
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
568.351g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
568.755g/mol
Monoisotopic Mass:
568.351g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
61.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
Literature
| Title | Journal |
|---|---|
| A low-molecular-weight compound K7174 represses hepcidin: possible therapeutic strategy against anemia of chronic disease. | PloS one 20130101 |
| Suppression of cytokine response by GATA inhibitor K-7174 via unfolded protein response. | Biochemical and biophysical research communications 20070824 |
| Oral administration of K-11706 inhibits GATA binding activity, enhances hypoxia-inducible factor 1 binding activity, and restores indicators in an in vivo mouse model of anemia of chronic disease. | Blood 20041215 |
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