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245116-90-9 | 1H-Indole-1-acetic acid, 3-[(4,5,7-trifluoro-2-benzothiazolyl)methyl]-
CAS No: 245116-90-9 Catalog No: AG002ODX MDL No:MFCD08067733
Product Description
Catalog Number:
AG002ODX
Chemical Name:
1H-Indole-1-acetic acid, 3-[(4,5,7-trifluoro-2-benzothiazolyl)methyl]-
CAS Number:
245116-90-9
Molecular Formula:
C18H11F3N2O2S
Molecular Weight:
376.3523
MDL Number:
MFCD08067733
IUPAC Name:
2-[3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]indol-1-yl]acetic acid
InChI:
InChI=1S/C18H11F3N2O2S/c19-11-6-12(20)18-17(16(11)21)22-14(26-18)5-9-7-23(8-15(24)25)13-4-2-1-3-10(9)13/h1-4,6-7H,5,8H2,(H,24,25)
InChI Key:
KYHVTMFADJNSGS-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1cc(c2c1cccc2)Cc1sc2c(n1)c(F)c(cc2F)F
UNII:
R3734K0M7L
Properties
Complexity:
543
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.049g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
376.353g/mol
Monoisotopic Mass:
376.049g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Literature
| Title | Journal |
|---|---|
| Identification of new non-carboxylic acid containing inhibitors of aldose reductase. | Bioorganic & medicinal chemistry 20100601 |
| Diabetic cataract-pathogenesis, epidemiology and treatment. | Journal of ophthalmology 20100101 |
| Discovery of [3-(4,5,7-trifluoro-benzothiazol-2-ylmethyl)-pyrrolo[2,3-b]pyridin-1-yl]acetic acids as highly potent and selective inhibitors of aldose reductase for treatment of chronic diabetic complications. | Bioorganic & medicinal chemistry letters 20090401 |
| Regulation of plasma fructose and mortality in mice by the aldose reductase inhibitor lidorestat. | The Journal of pharmacology and experimental therapeutics 20090201 |
| Synthesis, induced-fit docking investigations, and in vitro aldose reductase inhibitory activity of non-carboxylic acid containing 2,4-thiazolidinedione derivatives. | Bioorganic & medicinal chemistry 20080601 |
| Discovery of 3-[(4,5,7-trifluorobenzothiazol-2-yl)methyl]indole-N-acetic acid (lidorestat) and congeners as highly potent and selective inhibitors of aldose reductase for treatment of chronic diabetic complications. | Journal of medicinal chemistry 20050505 |
| Role of aldose reductase and oxidative damage in diabetes and the consequent potential for therapeutic options. | Endocrine reviews 20050501 |
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