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AE-3763 - ≥98.0%, high purity , CAS No.291778-77-3

    Grade & Purity:
  • ≥98%
In stock
Item Number
A651980
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A651980-5mg
5mg
Available within 8-12 weeks(?)
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$1,450.90

Basic Description

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)-
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)

Taxonomic Classification

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

Associated Targets(Human)

ELANE Tclin Leukocyte elastase (8173 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Mus musculus (284745 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

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
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

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Solubility DMSO : 16.67 mg/mL (30.33 mM; Need ultrasonic)
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

Solution Calculators

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