2-(5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)-1H-indol-1-yl)acetic acid

Base Information

• Chemical Name: 2-(5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)-1H-indol-1-yl)acetic acid
• CAS No.: 851723-84-7
• Molecular Formula: C21H17FN2O2
• Molecular Weight: 348.37
• Hs Code.: 2933990090
• UNII: 04XB9TB8OL
• ChEMBL ID: CHEMBL560993
• DSSTox Substance ID: DTXSID00234343
• Metabolomics Workbench ID: 152981
• NCI Thesaurus Code: C152633
• Pharos Ligand ID: 5CLQ5BFLWMLH
• Wikidata: Q27247701
• Mol file: 851723-84-7.mol

Synonyms:(5-fluoro-2-methyl-3-quinolin-2-ylmethylindo-1-yl)acetic acid;OC000459

Chemical Property of 2-(5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)-1H-indol-1-yl)acetic acid

Chemical Property:

• Boiling Point: 574.416 °C at 760 mmHg
• PKA: 4.08±0.10(Predicted)
• Flash Point: 301.196 °C
• PSA: 55.12000
• Density: 1.297 g/cm³
• LogP: 4.31240
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 348.12740595
• Heavy Atom Count: 26
• Complexity: 516

Purity/Quality:

99%min. ^*data from raw suppliers

OC000459 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)F)CC3=NC4=CC=CC=C4C=C3
• Recent ClinicalTrials: Effect of OC459 on the Response to Rhinovirus Challenge in Asthma
• Recent EU Clinical Trials: Effect of the CRTH2 antagonist OC459 on the response to rhinovirus challenge in asthma
• Uses: OC000459 is a CRTH2 antagonist which helps in the treatment of allergies, reducing nasal and ocular symptoms in subjects exposed to allergens.