RGX-104 free Acid

Base Information

• Chemical Name: RGX-104 free Acid
• CAS No.: 610318-54-2
• Molecular Formula: C₃₄H₃₃ClF₃NO₃
• Molecular Weight: 596.089
• UNII: Q26B92650V
• Wikidata: Q76415278
• NCI Thesaurus Code: C131910
• Pharos Ligand ID: YY1FF8N5LFX9
• ChEMBL ID: CHEMBL573677

Synonyms:SB 742881;SB-742881;SB742881

Chemical Property of RGX-104 free Acid

Chemical Property:

• Boiling Point: 677.1±55.0 °C(Predicted)
• Density: 1.246±0.06 g/cm3(Predicted)
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 13
• Exact Mass: 595.2101061
• Heavy Atom Count: 42
• Complexity: 783

Purity/Quality:

97% ^*data from raw suppliers

RGX-104freeform ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(CCOC1=CC=CC(=C1)CC(=O)O)N(CC2=C(C(=CC=C2)C(F)(F)F)Cl)CC(C3=CC=CC=C3)C4=CC=CC=C4
• Isomeric SMILES: C[C@H](CCOC1=CC=CC(=C1)CC(=O)O)N(CC2=C(C(=CC=C2)C(F)(F)F)Cl)CC(C3=CC=CC=C3)C4=CC=CC=C4
• Recent ClinicalTrials: A Study of RGX-104 in Patients With Advanced Lung & Endometrial Cancer
• Uses: RGX-104 is combination of a liver X receptor β agonist and GITR modulator for treatment of cancer.Liver X receptor beta agonist.

Technology Process of RGX-104 free Acid

There total 1 articles about RGX-104 free Acid 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:

(R)-2-(3-{3-[[2-chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino]-3-methyl-propoxy}-phenyl) acetic acid methyl ester (610319-02-3) → 2-[3-[(3R)-3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]butoxy]phenyl]acetic acid (610318-54-2)

Guidance literature:

With water; lithium hydroxide; In tetrahydrofuran;

DOI:10.1016/j.bmcl.2009.08.036

Reference yield: 72.0%

2-[3-[(3R)-3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]butoxy]phenyl]acetic acid (610318-54-2) → 2-[3-[(3R)-3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]butoxy]phenyl]acetic acid zinc salt

Guidance literature:

2-[3-[(3R)-3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]butoxy]phenyl]acetic acid; With sodium hydroxide; In methanol;

With zinc(II) chloride; In methanol; water; at 20 - 40 ℃; for 24h; Reagent/catalyst; Solvent; Temperature; Sealed tube;

Reference yield: 61.0%

2-[3-[(3R)-3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]butoxy]phenyl]acetic acid (610318-54-2) → 2-[3-[(3R)-3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]butoxy]phenyl]acetic acid aluminium salt

Guidance literature:

2-[3-[(3R)-3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]butoxy]phenyl]acetic acid; With sodium hydroxide; In methanol;

With aluminum(III) sulfate; In water; at 20 - 40 ℃; for 24h;

upstream raw materials:

(R)-2-(3-{3-[[2-chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino]-3-methyl-propoxy}-phenyl) acetic acid methyl ester

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