PKI-402

Base Information

• Chemical Name: PKI-402
• CAS No.: 1173204-81-3
• Molecular Formula: C29H34N10O3
• Molecular Weight: 570.654
• Mol file: 1173204-81-3.mol

Synonyms:PKI-402; 1-[4-[3-Ethyl-7-(morpholin-4-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]phenyl]-3-[4-[(4-methylpiperazin-1-yl)carbonyl]phenyl]urea

Chemical Property of PKI-402

Chemical Property:

• Boiling Point: 670.6±55.0 °C(Predicted)
• PKA: 13.80±0.70(Predicted)
• PSA: 133.64000
• Density: 1.43
• LogP: 2.86320
• Solubility.: insoluble in EtOH; insoluble in H2O; ≥14.28 mg/mL in DMSO

Purity/Quality:

98%,99%, ^*data from raw suppliers

PKI402 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: A selective, reversible and ATP-competitive Class I PI3K inhibitor. PI3Kα, IC50=1 nM; PI3Kβ, IC50=7 nM; PI3Kγ, IC50=16 nM; PI3Kδ, IC50=14 nM. PKI 402 is a potent pan-PI3K/mTOR dual inhibitor and a potential antitumor drug.

Technology Process of PKI-402

There total 2 articles about PKI-402 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%

1-methyl-piperazine (109-01-3) + 4-({[4-(3-ethyl-7-morpholin-4-yl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)phenyl]carbamoyl}amino)benzoic acid (1173204-78-8) → PKI-402 (1173204-81-3)

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In tetrahydrofuran; for 6h;

DOI:10.1021/jm9014982

Reference yield:

→ PKI-402 (1173204-81-3)

Guidance literature:

Reference yield:

PKI-402 (1173204-81-3) → 1-[4-(3-ethyl-7-morpholin-4-yl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)phenyl]-3-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}urea hydrochloride

Guidance literature:

With hydrogenchloride; In methanol;

upstream raw materials:

1-methyl-piperazine

4-({[4-(3-ethyl-7-morpholin-4-yl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)phenyl]carbamoyl}amino)benzoic acid

Refernces

• 1、 -. "3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES". Page/Page column 34. . Retrieved 2009/07/25.