O6-[4-(TRIFLUOROACETAMIDOMETHYL)BENZYL]GUANINE

Base Information

• Chemical Name: O6-[4-(TRIFLUOROACETAMIDOMETHYL)BENZYL]GUANINE
• CAS No.: 680622-70-2
• Molecular Formula: C15H13F3N6O2
• Molecular Weight: 366.302
• Mol file: 680622-70-2.mol

Synonyms:N-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide;

Chemical Property of O6-[4-(TRIFLUOROACETAMIDOMETHYL)BENZYL]GUANINE

Chemical Property:

• Melting Point: 211-213?C
• PKA: 9.52±0.10(Predicted)
• PSA: 123.03000
• Density: 1.525±0.06 g/cm3(Predicted)
• LogP: 2.46300
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Methanol (Slightly)

Purity/Quality:

97% ^*data from raw suppliers

O6-[4-(Trifluoroacetamidomethyl)benzyl]guanine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: O6-[4-(Trifluoroacetamidomethyl)benzyl]guanine (cas# 680622-70-2) is a specific Pin1 (peptidyl-prolyl cis-trans isomerase NIMA-interacting 1) inhibitor.

Technology Process of O6-[4-(TRIFLUOROACETAMIDOMETHYL)BENZYL]GUANINE

There total 17 articles about O6-[4-(TRIFLUOROACETAMIDOMETHYL)BENZYL]GUANINE 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: 90.0%

6-(1-methylpyrrolidin-1-ium-1-yl)-7H-purin-2-amine chloride + 2,2,2-trifluoro-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide (171723-95-8) → N-[ [4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide (680622-70-2)

Guidance literature:

With 18-crown-6 ether; potassium tert-butylate; In N,N-dimethyl-formamide; at 50 ℃; for 6h;

Reference yield: 90.0%

6-(1-methylpyrrolidin-1-ium-1-yl)-7H-purin-2-amine chloride (680622-68-8) + 2,2,2-trifluoro-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide (171723-95-8) → N-[ [4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide (680622-70-2)

Guidance literature:

With 18-crown-6 ether; potassium tert-butylate; In N,N-dimethyl-formamide; at 50 ℃; for 6h;

DOI:10.1021/jacs.9b06528

Reference yield: 82.0%

2,2,2-trifluoro-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide (171723-95-8) + 1‐(2‐amino‐9H‐purin‐6‐yl)‐1‐methylpyrrolidin‐1‐ium chloride → N-[4-(2-amino-9H-purin-6-yloxymethyl)benzyl]-2,2,2-trifluoroacetamide (680622-70-2)

Guidance literature:

With potassium tert-butylate; In N,N-dimethyl-formamide;

upstream raw materials:

2,2,2-trifluoro-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide

2-amino-trimethylpurin-6-ylammonium chloride

4-cyanobenzoic acid methyl ester

4-hydroxymethyl-benzylamine

Downstream raw materials:

N-[4-(2-amino-9H-purin-6-yloxymethyl)-benzyl]-2-[8-(4-dimethylamino-phenyl)-1,2-dimethyl-7-oxo-7H-pyrano[3,2-e]indol-3-yl]-acetamide

N-[4-(2-amino-9H-purin-6-yloxymethyl)-benzyl]-2-[8-(4-dimethylamino-phenyl)-1,2-dimethyl-7-oxo-7H-pyrano[3,2-e]indol-3-yl]-butyramide

6-[8-(4-dimethylamino-phenyl)-1,2-dimethyl-7-oxo-7H-pyrano[3,2-e]indol-3-yl]-hexanoic acid 4-(2-amino-9H-purin-6-yloxymethyl)-benzylamide

N-[4-(2-amino-9H-purin-6-yloxymethyl)-benzyl]-3-{2-[2-(2-{2-[8-(4-dimethylamino-phenyl)-1,2-dimethyl-7-oxo-7H-pyrano[3,2-e]indol-3-yl]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-propionamide

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