Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C19H21Cl2N3O4.2Na |
| Molecular Weight | 472.273 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].CC(C)C[C@H](N[C@@H](CC1=CN=CN1CC2=CC(Cl)=CC(Cl)=C2)C([O-])=O)C([O-])=O
InChI
InChIKey=IPWUFTSXOGIJFE-SZKOKKDDSA-L
InChI=1S/C19H23Cl2N3O4.2Na/c1-11(2)3-16(18(25)26)23-17(19(27)28)7-15-8-22-10-24(15)9-12-4-13(20)6-14(21)5-12;;/h4-6,8,10-11,16-17,23H,3,7,9H2,1-2H3,(H,25,26)(H,27,28);;/q;2*+1/p-2/t16-,17-;;/m0../s1
| Molecular Formula | Na |
| Molecular Weight | 22.9898 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C19H21Cl2N3O4 |
| Molecular Weight | 426.294 |
| Charge | -2 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Ore Pharmaceuticals developed ORE1001 previously known as MLN-4760 as an orally administered, small molecule compound, for the treatment of inflammatory bowel diseases. ORE1001 is a specific angiotensin-converting enzyme 2 inhibitor. It was shown that ORE1001 markedly decreased tissue myeloperoxidase activity, a well-known marker of inflammation. As a result, ORE1001 was studied as a treatment of gastrointestinal inflammatory conditions. ORE1001 was involved in phase I clinical trial to investigate its safety and activity in subjects with ulcerative colitis. In addition, the drug was studied for NSAID-induced ulcer and obesity. However, all these studies were discontinued.
Originator
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Effects of the ACE2 inhibitor GL1001 on acute dextran sodium sulfate-induced colitis in mice. | 2009 Nov |
|
| Murine recombinant angiotensin-converting enzyme 2: effect on angiotensin II-dependent hypertension and distinctive angiotensin-converting enzyme 2 inhibitor characteristics on rodent and human angiotensin-converting enzyme 2. | 2012 Sep |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 08:09:21 UTC 2023
by
admin
on
Sat Dec 16 08:09:21 UTC 2023
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| Record UNII |
NW4542OSV9
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| Record Status |
Validated (UNII)
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| Record Version |
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NW4542OSV9
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1315337-39-3
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53340876
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DTXSID60157100
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admin on Sat Dec 16 08:09:21 UTC 2023 , Edited by admin on Sat Dec 16 08:09:21 UTC 2023
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| Related Record | Type | Details | ||
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SOLVATE->ANHYDROUS |
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ACTIVE MOIETY |
