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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H40N4O6
Molecular Weight 564.6725
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DMP-777

SMILES

CCC[C@@H](NC(=O)N1[C@@H](OC2=CC=C(C=C2)C(=O)N3CCN(C)CC3)C(CC)(CC)C1=O)C4=CC=C5OCOC5=C4

InChI

InChIKey=ZSDCIRYNTCVTMF-GIGWZHCTSA-N
InChI=1S/C31H40N4O6/c1-5-8-24(22-11-14-25-26(19-22)40-20-39-25)32-30(38)35-28(37)31(6-2,7-3)29(35)41-23-12-9-21(10-13-23)27(36)34-17-15-33(4)16-18-34/h9-14,19,24,29H,5-8,15-18,20H2,1-4H3,(H,32,38)/t24-,29+/m1/s1

HIDE SMILES / InChI

Description
Curator's Comment: description was created based on several sources, including: http://pubs.acs.org/doi/abs/10.1021/op015507o

DMP-777 (also termed L-694458) a cell permeant b-lactam inhibitor of a human leukocyte elastase was developed for treatment cystic fibrosis, juvenile rheumatoid arthritis.

Originator

Curator's Comment: # Merck & Co., Inc.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
23.0 nM [IC50]
Conditions

Conditions

PubMed

PubMed

TitleDatePubMed
Syntheses of trans-5-oxo-hexahydro-pyrrolo[3,2-b]pyrroles and trans-5-oxo-hexahydro-furo[3,2-b]pyrroles (pyrrolidine trans-lactams and trans-lactones): new pharmacophores for elastase inhibition.
1998 Oct 8
Patents

Patents

Sample Use Guides

DMP-777 was administered to CD-1 rats by oral gavage 200 mg/kg/day
Route of Administration: Oral
In Vitro Use Guide
Perfusing tracheal submucosal gland cells with 100 nM HNE plus 400 nM DMP-777 after pretreatment with DMP-777 alone resulted in the release of significantly less MGC during the test period than in the case of perfusion with 100 nM HNE alone
Name Type Language
DMP-777
Common Name English
L-694458
Code English
L 694458
Code English
DMP 777
Code English
1-AZETIDINECARBOXAMIDE, N-((1R)-1-(1,3-BENZODIOXOL-5-YL)BUTYL)-3,3-DIETHYL-2-(4-((4-METHYL-1-PIPERAZINYL)CARBONYL)PHENOXY)-4-OXO-, (2S)-
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 96496
Created by admin on Fri Dec 15 15:42:47 UTC 2023 , Edited by admin on Fri Dec 15 15:42:47 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID00166251
Created by admin on Fri Dec 15 15:42:47 UTC 2023 , Edited by admin on Fri Dec 15 15:42:47 UTC 2023
PRIMARY
FDA UNII
3Q0469283P
Created by admin on Fri Dec 15 15:42:47 UTC 2023 , Edited by admin on Fri Dec 15 15:42:47 UTC 2023
PRIMARY
MESH
C105999
Created by admin on Fri Dec 15 15:42:47 UTC 2023 , Edited by admin on Fri Dec 15 15:42:47 UTC 2023
PRIMARY
PUBCHEM
177992
Created by admin on Fri Dec 15 15:42:47 UTC 2023 , Edited by admin on Fri Dec 15 15:42:47 UTC 2023
PRIMARY
CAS
157341-41-8
Created by admin on Fri Dec 15 15:42:47 UTC 2023 , Edited by admin on Fri Dec 15 15:42:47 UTC 2023
PRIMARY