4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(methylsulfonyl)phenyl)pyrimidin-2-amine

Base Information

• Chemical Name: 4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(methylsulfonyl)phenyl)pyrimidin-2-amine
• CAS No.: 602306-29-6
• Molecular Formula: C₁₈H₂₁N₅O₂S
• Molecular Weight: 371.463
• Hs Code.: 2933990090
• UNII: 276Z913G29
• ChEMBL ID: CHEMBL488436
• DSSTox Substance ID: DTXSID501025680
• Nikkaji Number: J2.848.411I
• Pharos Ligand ID: MBSR9U4GFT1F
• Wikidata: Q27074758
• Mol file: 602306-29-6.mol

Synonyms:AZD 5438;AZD-5438;AZD5438

Chemical Property of 4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(methylsulfonyl)phenyl)pyrimidin-2-amine

Chemical Property:

• Vapor Pressure: 4.79E-17mmHg at 25°C
• Refractive Index: 1.647
• Boiling Point: 655.2 °C at 760 mmHg
• PKA: 4.08±0.50(Predicted)
• Flash Point: 350.1 °C
• PSA: 98.15000
• Density: 1.31 g/cm³
• LogP: 4.53030
• Storage Temp.: Desiccate at RT
• Solubility.: insoluble in H2O; ≥18.55 mg/mL in DMSO; ≥42.1 mg/mL in EtOH
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 371.14159610
• Heavy Atom Count: 26
• Complexity: 556

Purity/Quality:

98%Min ^*data from raw suppliers

AZD5438 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C
• Recent ClinicalTrials: AZD5438 in Patients With Advanced Solid Malignancies
• Uses: AZD 5438 is a potent oral inhibitor of cyclin-dependent kinases 1, 2, and 9, which leads to leads to pharmacodynamic changes and potent antitumor effects in human tumor xenografts.

Technology Process of 4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(methylsulfonyl)phenyl)pyrimidin-2-amine

There total 1 articles about 4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(methylsulfonyl)phenyl)pyrimidin-2-amine 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:

C36H46BF2N7O2S → 4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-(4-methylsulfonylphenyl)pyrimidin-2-amine (602306-29-6)

Guidance literature:

In dimethyl sulfoxide; Irradiation;

DOI:10.1039/d0pp00097c

Reference yield: 15.0%

4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-(4-methylsulfonylphenyl)pyrimidin-2-amine (602306-29-6) + C18H26BF2IN2 → C36H46BF2N7O2S

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at -35 ℃; for 1h; Inert atmosphere; Darkness;

DOI:10.1039/d0pp00097c

Refernces