Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C11H14ClN3O2 |
| Molecular Weight | 255.701 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O\N=C\NC1=CC(Cl)=C(C=C1)N2CCOCC2
InChI
InChIKey=ZTXADXBIGLLOFX-UHFFFAOYSA-N
InChI=1S/C11H14ClN3O2/c12-10-7-9(13-8-14-16)1-2-11(10)15-3-5-17-6-4-15/h1-2,7-8,16H,3-6H2,(H,13,14)
| Molecular Formula | C11H14ClN3O2 |
| Molecular Weight | 255.701 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 10:15:05 GMT 2023
by
admin
on
Sat Dec 16 10:15:05 GMT 2023
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| Record UNII |
FP24MFJ1RM
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| Record Status |
Validated (UNII)
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| Record Version |
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FP24MFJ1RM
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9816527
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DTXSID00431234
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339071-18-0
Created by
admin on Sat Dec 16 10:15:05 GMT 2023 , Edited by admin on Sat Dec 16 10:15:05 GMT 2023
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ACTIVE MOIETY |
We found that TS-011 significantly inhibited both the decrease and the increase in the blood flow velocities in the peri-infarct microvessels seen in the vehicle-treated mice after reperfusion. In addition, TS-011 significantly inhibited the reduction in the microvascular perfusion area after reperfusion, compared with the vehicle-treated group. Moreover, TS-011 significantly reduced the infarct volume by 40% at 72 h after middle cerebral artery occlusion.
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ACTIVE MOIETY |
TS-011 inhibited the synthesis of 20-HETE by human renal microsomes and recombinant CYP4A11 and 4F2, 4F3A, and 4F3B enzymes with IC50 values around 10 to 50 nM. It had no effect on the activities of CYP1A, 2C9, 2C19, 2D6, or 3A4 enzymes. TS-011 inhibited the synthesis of 20-HETE by rat renal microsomes with an IC50 of 9.19 nM, and it had no effect on epoxygenase activity at a concentration of 100 microM. TS-011 (0.01-1 mg/kg i.v.) reversed the fall in cerebral blood flow and the increase in 20-HETE levels in the cerebrospinal fluid of rats after SAH.
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