PF-04981517

Base Information

• Chemical Name: PF-04981517
• CAS No.: 1390637-82-7
• Molecular Formula: C26H32N8
• Molecular Weight: 456.58588
• Mol file: 1390637-82-7.mol

Synonyms:CYP3cide;PF-04981517;PF-4981517;1H-Pyrazolo[3,4-d]pyrimidine, 1-methyl-3-[1-methyl-5-(4-methylphenyl)-1H-pyrazol-4-yl]-4-[(3S)-3-(1-piperidinyl)-1-pyrrolidinyl]-;1-Methyl-3-[1-methyl-5-(4-methylphenyl)-1H-pyrazol-4-yl]-4-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine

Chemical Property of PF-04981517

Chemical Property:

• PSA: 67.90000
• LogP: 3.80670
• Storage Temp.: room temp
• Solubility.: Soluble in DMSO

Purity/Quality:

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

CYP3cide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: CYP3cide is a potent and selective time dependent inactivator of Cytochrome P450 3A4 (CYP3A4). CYP3A4 is an important enzymes involved in the metabolism of xenobiotics in the human body and constitutes to about a quarter of all CYPs in the human body. CYP3cide provides a useful in vitro tool in defining the individual roles of CYP3A4 versus CYP3A5 in the metabolism of drugs.

Technology Process of PF-04981517

There total 5 articles about PF-04981517 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:

{4-chloro-6-[(3S)-3-(piperidin-1-yl)pyrrolidin-1-yl]pyrimidin-5-yl}[1-methyl-5-(4-methylphenyl)-1H-pyrazol-4-yl]methanone (1415638-19-5) + methylhydrazine (60-34-4) → CYP3cide (1390637-82-7)

Guidance literature:

In acetonitrile; at 20 ℃;

Reference yield:

(4,6-dichloropyrimidin-5-yl)(1-methyl-5-(p-tolyl)-1H-pyrazol-4-yl)methanol (1415637-98-7) → CYP3cide (1390637-82-7)

Guidance literature:

Multi-step reaction with 3 steps

1: Dess-Martin periodane / chloroform / 2 h / 20 °C

2: N-ethyl-N,N-diisopropylamine / acetonitrile / 3 h / 20 °C

3: acetonitrile / 20 °C

With Dess-Martin periodane; N-ethyl-N,N-diisopropylamine; In chloroform; acetonitrile;

Reference yield:

1-methyl-5-(p-tolyl)-1H-pyrazole-4-carbaldehyde (689250-61-1) → CYP3cide (1390637-82-7)

Guidance literature:

Multi-step reaction with 4 steps

1.1: diisopropylamine; n-butyllithium / hexane; tetrahydrofuran / 1.5 h / -90 - -78 °C

1.2: 2 h / -90 °C

2.1: Dess-Martin periodane / chloroform / 2 h / 20 °C

3.1: N-ethyl-N,N-diisopropylamine / acetonitrile / 3 h / 20 °C

4.1: acetonitrile / 20 °C

With n-butyllithium; Dess-Martin periodane; diisopropylamine; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; hexane; chloroform; acetonitrile;

upstream raw materials:

{4-chloro-6-[(3S)-3-(piperidin-1-yl)pyrrolidin-1-yl]pyrimidin-5-yl}[1-methyl-5-(4-methylphenyl)-1H-pyrazol-4-yl]methanone

methylhydrazine

1-methyl-5-(p-tolyl)-1H-pyrazole-4-carbaldehyde

1-methyl-5-(4-methylphenyl)-1H-pyrazole

Refernces