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LR-90

CAT: 0931-T11877-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T11877-05Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
245075-84-7
Target
Others, COX
Related Pathways
Others, Neuroscience, Immunology/Inflammation
Purity
0.9968
Bioactivity
LR-90, an advanced glycation end product (AGE) inhibitor, is utilized in diabetic animal model research. This compound effectively suppresses inflammatory responses in human monocytes.
Smiles
CC(C)(Oc1ccc(NC(=O)Nc2ccc(Cc3ccc(NC(=O)Nc4ccc(OC(C)(C)C(O)=O)cc4)c(Cl)c3)cc2Cl)cc1)C(O)=O
Molecular Formula
C35H34Cl2N4O8
Molecular Weight
709.57
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

LR-90

an advanced glycation endproduct inhibitor that prevents progression of diabetic nephropathy in streptozotocin-diabetic rats; structure in first source

CAS Number245075-84-7
PubChem CID10212249
IUPAC Name2-[4-[[4-[[4-[[4-(2-carboxypropan-2-yloxy)phenyl]carbamoylamino]-3-chlorophenyl]methyl]-2-chlorophenyl]carbamoylamino]phenoxy]-2-methylpropanoic acid
Molecular FormulaC35H34Cl2N4O8
Molecular Weight709.6
XLogP6.5
Topological Polar Surface Area175
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Heavy Atom Count49
Formal Charge0
Complexity1060
SMILES
CC(C)(C(=O)O)OC1=CC=C(C=C1)NC(=O)NC2=C(C=C(C=C2)CC3=CC(=C(C=C3)NC(=O)NC4=CC=C(C=C4)OC(C)(C)C(=O)O)Cl)Cl
InChI
InChI=1S/C35H34Cl2N4O8/c1-34(2,30(42)43)48-24-11-7-22(8-12-24)38-32(46)40-28-15-5-20(18-26(28)36)17-21-6-16-29(27(37)19-21)41-33(47)39-23-9-13-25(14-10-23)49-35(3,4)31(44)45/h5-16,18-19H,17H2,1-4H3,(H,42,43)(H,44,45)(H2,38,40,46)(H2,39,41,47)
InChIKey
WJDMCXSGUCNRPZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of LR-90
CAS: 245075-84-7
CID: 10212249
Formula: C35H34Cl2N4O8
MW: 709.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight709.6
XLogP36.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Exact Mass708.1753694
Monoisotopic Mass708.1753694
Topological Polar Surface Area175 Ų
Heavy Atom Count49
Formal Charge0
Complexity1060
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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BUP09581-01LR-90
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A12296-200LR-90 200mg
A12296-100LR-90 100mg
A12296-50LR-90 50mg
A12296-10LR-90 10mg
HY-76383R-01LR-90 (Standard)
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