3-(2,4-Diaminopteridin-6-yl)phenol

Base Information

• Chemical Name: 3-(2,4-Diaminopteridin-6-yl)phenol
• CAS No.: 925705-73-3
• Molecular Formula: C₁₂H₁₀N₆O
• Molecular Weight: 254.251
• ChEMBL ID: CHEMBL244559
• DSSTox Substance ID: DTXSID60590816
• Wikidata: Q82484449
• Mol file: 925705-73-3.mol

Synonyms:925705-73-3;TG 100713;3-(2,4-diaminopteridin-6-yl)phenol;TG100713;tg-100713;SCHEMBL369049;CHEMBL244559;JMC504279 Compound 17;BDBM25082;DTXSID60590816;UOORQSPLBHUQDQ-UHFFFAOYSA-N;GLXC-26563;HMS3651N21;BCP05993;s2870;AKOS024458064;CCG-267001;SB16568;3-(2,4-diamino-pteridin-6-yl)-phenol;NCGC00386209-03;AS-56116;HY-13514;Phenol, 3-(2,4-diamino-6-pteridinyl)-;CS-0007132;SW219525-1;TG-100713;C77171;A902741;3-(2,4-DiaMino-6-pteridinyl)-phenol;J-510465

Chemical Property of 3-(2,4-Diaminopteridin-6-yl)phenol

Chemical Property:

• PSA: 124.56000
• LogP: 1.46810
• Solubility.: Limited solubility, soluble in DMSO
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 254.09160896
• Heavy Atom Count: 19
• Complexity: 317

Purity/Quality:

99%+, ^*data from raw suppliers

TG 100713 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)O)C2=CN=C3C(=N2)C(=NC(=N3)N)N
• Uses: TG 100713 is an inhibitor of PI3-kinase. TG 100713 inhibits endothelial cell proliferation.

Technology Process of 3-(2,4-Diaminopteridin-6-yl)phenol

There total 2 articles about 3-(2,4-Diaminopteridin-6-yl)phenol 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: 96.5%

3-hydroxyphenylglyoxal (70935-14-7) + 2,4,5,6-tetraaminopyrimidine sulfate (5392-28-9,49647-58-7) + acetone oxime (127-06-0) → TG100110 (925705-73-3)

Guidance literature:

3-hydroxyphenylglyoxal; acetone oxime; With hydrogenchloride; In methanol; water; at 50 ℃; for 1h; pH=~ 2 - ~ 3;

2,4,5,6-tetraaminopyrimidine sulfate; In water; at 20 ℃; for 9h; Heating / reflux;

With water; sodium hydrogencarbonate; at 20 ℃; pH=~ 6 - ~ 7;

Reference yield: 96.5%

3-hydroxyphenylglyoxal (70935-14-7) + 2,4,5,6-tetraaminopyrimidine sulfate (5392-28-9,49647-58-7) → TG100110 (925705-73-3)

Guidance literature:

3-hydroxyphenylglyoxal; With hydrogenchloride; acetone oxime; at 50 ℃; for 1h; pH=2 - 3;

2,4,5,6-tetraaminopyrimidine sulfate; for 9h; Further stages.; Heating;

DOI:10.1021/jm051056c

upstream raw materials:

3-hydroxyphenylglyoxal

2,4,5,6-tetraaminopyrimidine sulfate

acetone oxime

Refernces

• 1、 -. "Kinase inhibitors and methods of use thereof". Page/Page column 18. . Retrieved 2010/11/28.