Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C7H7NO4 |
| Molecular Weight | 169.1348 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC1=CC(CO[N+]([O-])=O)=CC=C1
InChI
InChIKey=GCKBVYBCFQGKGP-UHFFFAOYSA-N
InChI=1S/C7H7NO4/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4,9H,5H2
| Molecular Formula | C7H7NO4 |
| Molecular Weight | 169.1348 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 10:48:29 GMT 2023
by
admin
on
Sat Dec 16 10:48:29 GMT 2023
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| Record UNII |
7KJ5VX45CS
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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7KJ5VX45CS
Created by
admin on Sat Dec 16 10:48:29 GMT 2023 , Edited by admin on Sat Dec 16 10:48:29 GMT 2023
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190442-16-1
Created by
admin on Sat Dec 16 10:48:29 GMT 2023 , Edited by admin on Sat Dec 16 10:48:29 GMT 2023
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11513816
Created by
admin on Sat Dec 16 10:48:29 GMT 2023 , Edited by admin on Sat Dec 16 10:48:29 GMT 2023
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| Related Record | Type | Details | ||
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PARENT -> METABOLITE |
The results relative to i.p. administration show a more pronounced and rapid NO delivery (peak of both NOx and RS-NO at 1 h and plateau between 1 and 2 h), still coincident with the peak of SA, and the presence in plasma of NCX 4015 (a metabolite of NCX 4016 which still bears the nitrate function). In myocardial tissue from p.o. treated rats, no drug or metabolites were ever detected, and the NOx levels were always in the range of the controls.
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| Related Record | Type | Details | ||
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ACTIVE MOIETY |
The results relative to i.p. administration show a more pronounced and rapid NO delivery (peak of both NOx and RS-NO at 1 h and plateau between 1 and 2 h), still coincident with the peak of SA, and the presence in plasma of NCX 4015 (a metabolite of NCX 4016 which still bears the nitrate function). In myocardial tissue from p.o. treated rats, no drug or metabolites were ever detected, and the NOx levels were always in the range of the controls. Conversely, following i.p. treatment, we observed a rapid compartmentalization within the heart of the unchanged drug, which rapidly disappears in favour of its breakdown products NCX 4015 and SA, with a concomitant rise in myocardial NOx levels up to 2 h.
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ACTIVE MOIETY |
The recent results from in vitro genotoxicity tests on NCX 4015 are not inline either with the results from these earlier tests on NCX 4016 or with an in vivo test suggesting no genotoxicity with NCX 4015, according to the company. The company said it would delay the start of planned Phase II studies of NCX 4016 for Type 2 diabetes pending the completion of additional testing on NCX 4015.
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ACTIVE MOIETY |
In parallel plasma samples were analyzed by a newly developed LC-MS/MS method for analysis of NCX 4015, the metabolite bearing the nitrate ester function. Using MS/MS with multiple reaction monitoring (MRM) in negative ion mode for NCX 4015 and the internal standard (NCX 4015- 13C-D2) it was possible to detect with sufficient accuracy and precision the metabolite in plasma with a quantification limit of 78.1 ng ml(-1). Concentration versus time profile of plasma NCX 4015 gave a Cmax value of 161.94 +/- 47.4 ng ml(-1) and a tmax 4.5 +/- 1 h. The results indicate that both NOx and RSNO (these last for the first time determined in vivo in man following oral administration of a NO-donor drug) are effective plasma markers of NO release in vivo, the latter being an earlier indicator of NO distribution (tmax 2.0 +/- 0.6 h versus 5.4 +/- 1.2 h).
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