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2007955-07-7

2007955-07-7 Structure

2007955-07-7 Structure
IdentificationBack Directory
[Name]

(S)-2-((S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-ylcarbamoyl)-4-methylpenty((R)-1-amino-3-phenylpropyl)phosphinic acid
[CAS]

2007955-07-7
[Synonyms]

(S)-2-((S)-1-AMINO-3-(1H-INDOL-3-YL)-1-OXOPROPAN-2-YLCARBAMOYL)-4-METHYLPENTY((R)-1-AMINO-3-PHENYLPR
(S)-2-((S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-ylcarbamoyl)-4-methylpenty((R)-1-amino-3-phenylpropyl)phosphinic acid
[Molecular Formula]

C27H37N4O4P
[MOL File]

2007955-07-7.mol
[Molecular Weight]

512.58
Chemical PropertiesBack Directory
[Boiling point ]

888.8±65.0 °C(Predicted)
[density ]

1.248±0.06 g/cm3(Predicted)
[pka]

2.17±0.50(Predicted)
Hazard InformationBack Directory
[Description]

DG013A is a a phosphinic pseudotripeptide and ERAP2 inhibitor with nanomolar potency for ERAP2. A crystal structure of a phosphinic pseudotripeptide (DG013A) bound into the active site of ERAP2 revealed five distinct protein elements that were hypothesized to drive inhibitor potency.
[Uses]

DG013A?is a phosphinic acid tripeptide mimetic inhibitor. DG013A displays significantly weak affinity for both ERAP1 (IC50=33?nM)?and ERAP2 (IC50=11?nM). DG013A can be used for the research of autoimmune disease and cancer[1].
[References]

[1] Birgit Wilding,?et al. Investigating the phosphinic acid tripeptide mimetic DG013A as a tool compound inhibitor of the M1-aminopeptidase ERAP1. Bioorg Med Chem Lett.?2021 Jun 15;42:128050. DOI:10.1016/j.bmcl.2021.128050
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