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| SKU | Size | Availability |
Price | Qty |
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A651980-5mg
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5mg |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
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$1,450.90
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| Synonyms | tripeptide-based inhibitor, 14v | SCHEMBL6588149 | DHQQXRRWRZFGDW-WBAXXEDZSA-N | F7YC3C4YFS | AE3763 | AE-3763 | 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)- |
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| Specifications & Purity | ≥98% |
| Biochemical and Physiological Mechanisms | AE-3763 is a peptide-based human neutrophil elastase inhibitor with an IC 50 of 29 nM. |
| 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. |
| Product Description |
AE-3763 is a peptide-based human neutrophil elastase inhibitor with an IC 50 of 29 nM. In Vitro AE-3763 exhibits potent in vitro inhibitory activity against human neutrophil elastase as well as extremely high solubility and stability in water. MCE has not independently confirmed the accuracy of these methods. They are for reference only. In Vivo Edema and leukocytes infiltration into the lung are significantly inhibited by infusion of AE-3763. AE3763 significantly improves survival rate by 24 h in a mouse model of fatal shock associated with multiple organ dysfunction. AE-3763 dose-dependently prevents hemorrhage when given intravenously by infusion (ED 50 : 0.42 mg/kg/h) or by bolus injection (1.2 mg/kg). With regard to the toxicity of AE-3763 in mice, the results of a preliminary study have shown no overt toxic effect even at the high dose of 300 mg/kg, iv . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid IC50& Target:IC50: 29 nM (Human neutrophil elastase) |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Peptides |
| Direct Parent | Oligopeptides |
| Alternative Parents | Valine and derivatives N-acyl-alpha amino acids and derivatives Proline and derivatives Alpha amino acid amides N-acylpyrrolidines Pyrrolidinecarboxamides Imidazolidinones Tertiary carboxylic acid amides Alpha-haloketones Secondary carboxylic acid amides Ureas Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Alkyl fluorides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Alpha-oligopeptide - N-acyl-alpha amino acid or derivatives - Valine or derivatives - Proline or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - N-acylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Imidazolidinone - Alpha-haloketone - Imidazolidine - Pyrrolidine - Tertiary carboxylic acid amide - Carboxamide group - Secondary carboxylic acid amide - Ketone - Urea - Carboxylic acid - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organofluoride - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. |
| External Descriptors | Not available |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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-[3-[2-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-2-oxoethyl]-2-oxoimidazolidin-1-yl]acetic acid |
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| INCHI | 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 |
| InChIKey | DHQQXRRWRZFGDW-WBAXXEDZSA-N |
| Smiles | CC(C)C(C(=O)C(F)(F)F)NC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)CN2CCN(C2=O)CC(=O)O |
| Isomeric SMILES | CC(C)[C@@H](C(=O)C(F)(F)F)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)CN2CCN(C2=O)CC(=O)O |
| Alternate CAS | 291778-77-3 |
| PubChem CID | 9807572 |
| MeSH Entry Terms | AE-3763;N-((3-(carboxymethyl)-2-oxoimidazolidin-1-yl)acetyl)-l-valyl-N-((3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)-l-prolinamide |
| Molecular Weight | 549.54 |
| Solubility | DMSO : 16.67 mg/mL (30.33 mM; Need ultrasonic) |
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| Molecular Weight | 549.500 g/mol |
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 11 |
| Exact Mass | 549.241 Da |
| Monoisotopic Mass | 549.241 Da |
| Topological Polar Surface Area | 156.000 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 956.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |