Phtpp

Base Information

• Chemical Name: Phtpp
• CAS No.: 805239-56-9
• Molecular Formula: C₂₀H₁₁F₆N₃O
• Molecular Weight: 423.317
• UNII: NN82CVN36N
• DSSTox Substance ID: DTXSID10458573
• Nikkaji Number: J2.647.655K
• Wikipedia: PHTPP
• Wikidata: Q25091475
• Pharos Ligand ID: LJSXTSBZ971H
• ChEMBL ID: CHEMBL191066
• Mol file: 805239-56-9.mol

Synonyms:4-(2-phenyl-5,7-bis(trifluoromethyl)pyrazolo(1,5-a)pyrimidin-3-yl)phenol;PHTPP cpd

Chemical Property of Phtpp

Chemical Property:

• PSA: 50.42000
• Density: 1.48g/cm3
• LogP: 5.80650
• Storage Temp.: Store at RT
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 423.08063096
• Heavy Atom Count: 30
• Complexity: 586

Purity/Quality:

99% ^*data from raw suppliers

PHTPP ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NN3C(=CC(=NC3=C2C4=CC=C(C=C4)O)C(F)(F)F)C(F)(F)F
• Description: PHTPP is a pyrazolo[1,5-α]pyrimidine-based ligand that acts as a full antagonist of estrogen ERβ receptors with 36-fold selectivity over ERα. It exhibits no significant agonism on ERα or ERβ. This compound has been used to selectively target ERβ in the study of the opposing effects of hormone therapy on tumors expressing either ER subtype. At 100 pM, PHTPP has been found to enhance SKOV3 and OV2008 ovarian cancer cell growth in in vitro assays.

Technology Process of Phtpp

There total 1 articles about Phtpp 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: 79.0%

3-(4-methoxyphenyl)-2-phenyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine → DC-II-299B (805239-56-9)

Guidance literature:

With boron dimethyl-trifluoro sulphide; In dichloromethane; at 0 - 20 ℃; for 18h;

DOI:10.1021/jm049631k