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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H34F3N5O7
Molecular Weight 549.5406
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AE-3763

SMILES

CC(C)[C@H](NC(=O)CN1CCN(CC(O)=O)C1=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F

InChI

InChIKey=DHQQXRRWRZFGDW-WBAXXEDZSA-N
InChI=1S/C23H34F3N5O7/c1-12(2)17(19(35)23(24,25)26)28-20(36)14-6-5-7-31(14)21(37)18(13(3)4)27-15(32)10-29-8-9-30(22(29)38)11-16(33)34/h12-14,17-18H,5-11H2,1-4H3,(H,27,32)(H,28,36)(H,33,34)/t14-,17-,18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H34F3N5O7
Molecular Weight 549.5406
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Development of a highly water-soluble peptide-based human neutrophil elastase inhibitor; AE-3763 for treatment of acute organ injury.
2009 Nov 1
Substance Class Chemical
Created
by admin
on Sat Dec 16 10:37:01 GMT 2023
Edited
by admin
on Sat Dec 16 10:37:01 GMT 2023
Record UNII
F7YC3C4YFS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AE-3763
Code English
AE3763
Code English
L-PROLINAMIDE, N-((3-(CARBOXYMETHYL)-2-OXO-1-IMIDAZOLIDINYL)ACETYL)-L-VALYL-N-((1S)-3,3,3-TRIFLUORO-1-(1-METHYLETHYL)-2-OXOPROPYL)-
Systematic Name English
1-IMIDAZOLIDINEACETIC ACID, 3-(2-(((1S)-2-METHYL-1-(((2S)-2-((((1S)-3,3,3-TRIFLUORO-1-(1-METHYLETHYL)-2-OXOPROPYL)AMINO)CARBONYL)-1-PYRROLIDINYL)CARBONYL)PROPYL)AMINO)-2-OXOETHYL)-2-OXO-
Systematic Name English
BDBM35279
Code English
2-(3-(2-(((1S)-2-METHYL-1-((2S)-2-(((1S)-3,3,3-TRIFLUORO-1-ISOPROPYL-2-OXO-PROPYL)CARBAMOYL)PYRROLIDINE-1-CARBONYL)PROPYL)AMINO)-2-OXO-ETHYL)-2-OXO-IMIDAZOLIDIN-1-YL)ACETIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
F7YC3C4YFS
Created by admin on Sat Dec 16 10:37:01 GMT 2023 , Edited by admin on Sat Dec 16 10:37:01 GMT 2023
PRIMARY
PUBCHEM
9807572
Created by admin on Sat Dec 16 10:37:01 GMT 2023 , Edited by admin on Sat Dec 16 10:37:01 GMT 2023
PRIMARY
CAS
291778-77-3
Created by admin on Sat Dec 16 10:37:01 GMT 2023 , Edited by admin on Sat Dec 16 10:37:01 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY
Infusion of AE-3763 dose-dependently prevented LPS-induced lung oedema and the infiltration of white blood cells into the hamster lung. AE-3763 also attenuated intratracheal HNE-induced hamster lung haemorrhage with ED50 values of 0.4 mg/kg/h and 1.3 mg/kg by intravenous infusion and intravenous bolus injection, respectively.
ACTIVE MOIETY
Class: Imidazolines, Pyrrolidines; Mechanism of Action: Leucocyte elastase inhibitor; Highest Development Phase: Discontinued for Acute lung injury and Adult respiratory distress syndrome