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722456-31-7 | 1,3-benzoxazol-2-yl 3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl sulfide
CAS No: 722456-31-7 Catalog No: AG00FHYI MDL No:
Product Description
Catalog Number:
AG00FHYI
Chemical Name:
1,3-benzoxazol-2-yl 3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl sulfide
CAS Number:
722456-31-7
Molecular Formula:
C18H12N6OS
Molecular Weight:
360.3925
IUPAC Name:
2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-1,3-benzoxazole
InChI:
InChI=1S/C18H12N6OS/c1-2-6-12(7-3-1)10-24-16-15(22-23-24)17(20-11-19-16)26-18-21-13-8-4-5-9-14(13)25-18/h1-9,11H,10H2
InChI Key:
HZSOKHVVANONPV-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Cn1nnc2c1ncnc2Sc1nc2c(o1)cccc2
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.079g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.395g/mol
Monoisotopic Mass:
360.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Aldosterone activates transcription factor Nrf2 in kidney cells both in vitro and in vivo. | Antioxidants & redox signaling 20141120 |
| Glutathione peroxidase-1 deficiency potentiates dysregulatory modifications of endothelial nitric oxide synthase and vascular dysfunction in aging. | Hypertension (Dallas, Tex. : 1979) 20140201 |
| Activation of PPARδ prevents endothelial dysfunction induced by overexpression of amyloid-β precursor protein. | Cardiovascular research 20121201 |
| Off-target thiol alkylation by the NADPH oxidase inhibitor 3-benzyl-7-(2-benzoxazolyl)thio-1,2,3-triazolo[4,5-d]pyrimidine (VAS2870). | Free radical biology & medicine 20120501 |
| Rapamycin sensitive ROS formation and Na(+)/H(+) exchanger activity in dendritic cells. | Cellular physiology and biochemistry : international journal of experimental cellular physiology, biochemistry, and pharmacology 20120101 |
| H2O2 production downstream of FLT3 is mediated by p22phox in the endoplasmic reticulum and is required for STAT5 signalling. | PloS one 20120101 |
| The NADPH oxidase inhibitor VAS2870 impairs cell growth and enhances TGF-β-induced apoptosis of liver tumor cells. | Biochemical pharmacology 20110401 |
| Reactive oxygen species are involved in regulating alpha1-adrenoceptor-activated vascular smooth muscle contraction. | Journal of biomedical science 20100101 |
| Novel Nox inhibitor VAS2870 attenuates PDGF-dependent smooth muscle cell chemotaxis, but not proliferation. | Cardiovascular research 20060715 |
| Novel Nox inhibitor of oxLDL-induced reactive oxygen species formation in human endothelial cells. | Biochemical and biophysical research communications 20060526 |
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