This is a demo store. No orders will be fulfilled.

ONO 6818 - 98%, high purity , CAS No.208848-19-5

    Grade & Purity:
  • ≥98%
In stock
Item Number
O287395
Grouped product items
SKU Size
Availability
Price Qty
O287395-1mg
1mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$59.90
O287395-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$189.90
O287395-10mg
10mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$299.90

High affinity and selective human neutrophil elastase 1 (HNE1) inhibitor

Basic Description

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.

Taxonomic Classification

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

Associated Targets(Human)

ELANE Tclin Neutrophil elastase (4 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
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)

Canis familiaris (36305 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Cricetinae gen. sp. (3197 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-(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=

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

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

Chemical and Physical Properties

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

Solution Calculators

Reviews

Customer Reviews

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.