ROFLUMILAST N-OXIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H14Cl2F2N2O4
Molecular Weight	419.2074
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C1CC1COc2cc(ccc2OC(F)F)C(=O)Nc3c(cn(=O)cc3Cl)Cl

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)

HIDE SMILES / InChI

Molecular Formula	C17H14Cl2F2N2O4
Molecular Weight	419.2074
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Phosphodiesterase 4 50 Target ID: CHEMBL2093863 Sources: https://www.ncbi.nlm.nih.gov/pubmed/20226872	Inhibitor 7728

PubMed

Title	Date	PubMed
Roflumilast inhibits the release of chemokines and TNF-α from human lung macrophages stimulated with lipopolysaccharide.	2012 Mar	21913898

Patents

Substance Class	Chemical Created by `admin` on `Sat Jun 26 06:04:58 UTC 2021` Edited by `admin` on `Sat Jun 26 06:04:58 UTC 2021`
Record UNII	F08MQ6CZCS
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ROFLUMILAST N-OXIDE

Common Name

English

BYK22890

Code

English

N-(3,5-DICHLORO-1-OXOPYRIDIN-4-YL)-4-DIFLUOROMETHOXY-3-CYCLOPROPYLMETHOXYBENZAMIDE

Systematic Name

English

ROFLUMILAST METABOLITE M07

Common Name

English

Code System Code Type Description

CAS

292135-78-5

Created by admin on Sat Jun 26 06:04:58 UTC 2021 , Edited by admin on Sat Jun 26 06:04:58 UTC 2021

PRIMARY

FDA UNII

F08MQ6CZCS

Created by admin on Sat Jun 26 06:04:59 UTC 2021 , Edited by admin on Sat Jun 26 06:04:59 UTC 2021

PRIMARY

EPA CompTox

292135-78-5

Created by admin on Sat Jun 26 06:04:59 UTC 2021 , Edited by admin on Sat Jun 26 06:04:59 UTC 2021

PRIMARY

Related Record Type Details


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Amount:

Related Record Type Details


					0P6C6ZOP5U

ROFLUMILAST

PARENT -> METABOLITE ACTIVE

Interaction Type:

MAJOR

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Tmax	PHARMACOKINETIC

Biological Half-life	PHARMACOKINETIC