PF-05212384

Base Information

• Chemical Name: PF-05212384
• CAS No.: 1197160-78-3
• Molecular Formula: C32H41N9O4
• Molecular Weight: 615.735
• Hs Code.: 29349990
• Mol file: 1197160-78-3.mol

Synonyms:N-[4-[[4-(Dimethylamino)-1-piperidinyl]carbonyl]phenyl]-N'-[4-[4,6-di(4-morpholinyl)-1,3,5-triazin-2-yl]phenyl]urea;

Chemical Property of PF-05212384

Chemical Property:

• PKA: 13.97±0.70(Predicted)
• PSA: 128.29000
• Density: 1.364 g/cm³
• LogP: 3.23590
• Storage Temp.: Refrigerator
• Solubility.: DMSO

Purity/Quality:

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

PF 05212384 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Description: Gedatolisib (PF-05212384, PKI-587) is a highly potent dual inhibitor of PI3Kα, PI3Kγ and mTOR with IC50 of 0.4 nM, 5.4 nM and 1.6 nM in cell-free assays, respectively. Phase 2.
• Uses: This compound shows inhibitory activity against PI3K-α, PI3K-γ and mTOR. This compound shows inhibitory activity against PI3K-α, PI3K-γ and mTOR. Potent PI3K/mTOR Dual Inhibitor.

Technology Process of PF-05212384

There total 11 articles about PF-05212384 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: 88.0%

dimethyl-piperidin-4-yl-amine (50533-97-6) + 4-(3-(4-(4,6-bismorpholine-1,3,5-triazin-2-yl)phenyl)ureido)benzoic acid (1197160-66-9) → PKI-587 (1197160-78-3)

Guidance literature:

4-(3-(4-(4,6-bismorpholine-1,3,5-triazin-2-yl)phenyl)ureido)benzoic acid; With 1,1'-carbonyldiimidazole; In tetrahydrofuran; at 50 ℃; for 2h;

dimethyl-piperidin-4-yl-amine; In tetrahydrofuran; at 53 ℃; for 16h; Product distribution / selectivity;

Reference yield: 88.0%

(4-aminophenyl)(4-(dimethylamino)piperidin-1-yl)methanone (50534-08-2) + phenyl (4-(4,6-dimorpholino-1,3,5-triazin-2-yl)phenyl)carbamate → PKI-587 (1197160-78-3)

Guidance literature:

In dimethyl sulfoxide; at 65 ℃; for 3h; Green chemistry;

DOI:10.1021/acs.oprd.7b00298

Reference yield: 52.0%

→ PKI-587 (1197160-78-3)

Guidance literature:

upstream raw materials:

dimethyl-piperidin-4-yl-amine

4-(3-(4-(4,6-bismorpholine-1,3,5-triazin-2-yl)phenyl)ureido)benzoic acid

4-nitrobenzonitrile

2,4-diamino-6-(4-nitrophenyl)-1,3,5-triazine

Refernces

• 1、 Liu, Xiangyu,Zhu, Guoqing,Li, Lingai,Liu, Yaowei,Wang, Feng,Song, Xiaoping,Mao, Yongjun. "New and Practical Synthesis of Gedatolisib". . p. 62 - 66. Retrieved 2017/12/27.
• 2、 -. "TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS". Paragraph 1061-1062; 1081-1082. . Retrieved 2017/05/19.