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| SKU | Size | Availability |
Price | Qty |
|---|---|---|---|---|
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O287395-1mg
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1mg |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
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$59.90
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O287395-5mg
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5mg |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
|
$189.90
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|
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O287395-10mg
|
10mg |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
|
$299.90
|
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High affinity and selective human neutrophil elastase 1 (HNE1) inhibitor
| Synonyms | 5-Amino-N-[1-[[5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2-yl]carbonyl]-2-methylpropyl]-6-oxo-2-phenyl-1(6H)-pyrimidineacetamide | Ono6818 | ono-6818 | SCHEMBL6748609 | AKOS027338660 | 1(6H)-Pyrimidineacetamide, 5-amino-N-[1-[[5-(1,1-dimethylethyl)-1,3,4-oxad |
|---|---|
| Specifications & Purity | ≥98% |
| Biochemical and Physiological Mechanisms | High affinity and selective human neutrophil elastase 1 (HNE1) inhibitor (Ki= 12 nM). Exhibits >100-fold less activity at other related proteases including trypsin, pancreatic elastase, collagenase and murine macrophage elastase. Inhibits HNE-induced lung |
| Storage Temp | Store at -20°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones |
| Direct Parent | Aryl alkyl ketones |
| Alternative Parents | Pyrimidones Aminopyrimidines and derivatives Hydropyrimidines Benzene and substituted derivatives Heteroaromatic compounds 1,3,4-oxadiazoles Secondary carboxylic acid amides Lactams Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl alkyl ketone - Aminopyrimidine - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - Pyrimidine - 1,3,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Lactam - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Primary amine - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group. |
| External Descriptors | Not available |
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| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| IUPAC Name | 2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-[1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]acetamide |
|---|---|
| INCHI | InChI=1S/C23H28N6O4/c1-13(2)17(18(31)20-27-28-22(33-20)23(3,4)5)26-16(30)12-29-19(14-9-7-6-8-10-14)25-11-15(24)21(29)32/h6-11,13,17H,12,24H2,1-5H3,(H,26,30) |
| InChIKey | YSIHYROEMJSOAS-UHFFFAOYSA-N |
| Smiles | CC(C)C(C(=O)C1=NN=C(O1)C(C)(C)C)NC(=O)CN2C(=NC=C(C2=O)N)C3=CC=CC=C3 |
| Isomeric SMILES | CC(C)C(C(=O)C1=NN=C(O1)C(C)(C)C)NC(=O)CN2C(=NC=C(C2=O)N)C3=CC=CC=C3 |
| Molecular Weight | 452.51 |
| Reaxy-Rn | 8802589 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8802589&ln= |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 45.25, Max Conc. mM: 100 |
|---|---|
| Molecular Weight | 452.500 g/mol |
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 8 |
| Exact Mass | 452.217 Da |
| Monoisotopic Mass | 452.217 Da |
| Topological Polar Surface Area | 144.000 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 825.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |