DMP-777

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 Search

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

Molecular Formula	C31H40N4O6
Molecular Weight	564.6725
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/10749744
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

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Leukocyte elastase 19 Target ID: CHEMBL248 Sources: https://www.ncbi.nlm.nih.gov/pubmed/9767628	Inhibitor 8297		23.0 nM [IC50]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Cystic fibrosis 120 Sources: http://grantome.com/grant/NIH/M01-RR003186-17-259	Primary		Phase II 1132	Unknown Approved Use Unknown
Juvenile rheumatoid arthritis 5 Sources: https://www.ncbi.nlm.nih.gov/pubmed/11272322 http://adisinsight.springer.com/drugs/800008794	Primary		Phase II 1132	Unknown Approved Use Unknown

PubMed

Title	Date	PubMed
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	9767628
Separation of the four stereoisomers of a potent inhibitor (L-694,458) of human leukocyte elastase and its determination in human plasma using achiral/chiral chromatography with column switching.	1998 Sep 1	9884195

Patents

Sample Use Guides

In Vivo Use Guide

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

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:42:47 GMT 2023` Edited by `admin` on `Fri Dec 15 15:42:47 GMT 2023`
Record UNII	3Q0469283P
Record Status	`Validated (UNII)`
Record Version

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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