Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C17H14Cl2F2N2O4 |
| Molecular Weight | 419.207 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[O-][N+]1=CC(Cl)=C(NC(=O)C2=CC(OCC3CC3)=C(OC(F)F)C=C2)C(Cl)=C1
InChI
InChIKey=PCGSQNPMMSALEJ-UHFFFAOYSA-N
InChI=1S/C17H14Cl2F2N2O4/c18-11-6-23(25)7-12(19)15(11)22-16(24)10-3-4-13(27-17(20)21)14(5-10)26-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,24)
| Molecular Formula | C17H14Cl2F2N2O4 |
| Molecular Weight | 419.207 |
| 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 09:53:53 UTC 2023
by
admin
on
Sat Dec 16 09:53:53 UTC 2023
|
| Record UNII |
F08MQ6CZCS
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
Download
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Common Name | English | ||
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Common Name | English |
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292135-78-5
Created by
admin on Sat Dec 16 09:53:53 UTC 2023 , Edited by admin on Sat Dec 16 09:53:53 UTC 2023
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F08MQ6CZCS
Created by
admin on Sat Dec 16 09:53:53 UTC 2023 , Edited by admin on Sat Dec 16 09:53:53 UTC 2023
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PRIMARY | |||
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DTXSID80433059
Created by
admin on Sat Dec 16 09:53:53 UTC 2023 , Edited by admin on Sat Dec 16 09:53:53 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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TARGET->INHIBITOR OF RELEASE |
In human PBMCs
IC50
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TARGET -> INHIBITOR |
IC50
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TARGET -> INHIBITOR |
IC50
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TARGET -> INHIBITOR |
IC50
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TARGET->INHIBITOR OF RELEASE |
In human PBMCs
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BINDER->LIGAND |
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TARGET -> INHIBITOR |
IC50
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TARGET -> INHIBITOR |
2-3 fold less active than ROFLUMILAST but much higher concentration in plasma.
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TARGET -> INHIBITOR |
10 fold less active that PDE4A
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE ACTIVE |
The N-oxide accounts for about 90% of the biological action of roflumilast
and produces a long-lasting, competitive inhibition of PDE4over a 24-hr period such that roflumilast may be administered once daily.
MAJOR
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| Name | Property Type | Amount | Referenced Substance | Defining | Parameters | References |
|---|---|---|---|---|---|---|
| Tmax | PHARMACOKINETIC |
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| Biological Half-life | PHARMACOKINETIC |
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