Ono-AE3-208

Base Information

• Chemical Name: Ono-AE3-208
• CAS No.: 402473-54-5
• Molecular Formula: C24H21FN2O3
• Molecular Weight: 404.441
• DSSTox Substance ID: DTXSID20435810
• Wikidata: Q27088198
• Pharos Ligand ID: KVH4AU1Y7PUG
• Mol file: 402473-54-5.mol

Synonyms:4-(4-cyano-2-(2-(4-fluoronaphthalen-1-yl)propionylamino)phenyl)butyric acid;AE3 208;AE3-208;ONO AE3-208;ONO-AE3-208

Chemical Property of Ono-AE3-208

Chemical Property:

• Boiling Point: 662.36 °C at 760 mmHg
• PKA: 4.69±0.10(Predicted)
• Flash Point: 354.383 °C
• PSA: 90.19000
• Density: 1.302 g/cm³
• LogP: 5.07308
• Storage Temp.: -20°C
• Solubility.: ≥40.4 mg/mL in DMSO with gentle warming; insoluble in H2O; ≥8.1 mg/mL in EtOH with gentle warming and ultrasonic
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 404.15362070
• Heavy Atom Count: 30
• Complexity: 660

Purity/Quality:

99% ^*data from raw suppliers

ONO AE3 208 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=C(C2=CC=CC=C21)F)C(=O)NC3=C(C=CC(=C3)C#N)CCCC(=O)O
• Uses: ONO AE3 208 is a prostaglandin E receptor EP4 antagonist, which inhibits breast cancer metastasis.

Technology Process of Ono-AE3-208

There total 1 articles about Ono-AE3-208 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ 4-cyano-2-[[2-(4-fluoro-1-naphthalenyl)-1-oxopropyl]amino]-benzenebutanoic acid (402473-54-5)

Guidance literature:

Refernces