2-[[3-[[2-(dimethylamino)phenyl]methyl]-2-pyridin-4-yl-1,3-diazinan-1-yl]methyl]-N,N-dimethylaniline

Base Information

• Chemical Name: 2-[[3-[[2-(dimethylamino)phenyl]methyl]-2-pyridin-4-yl-1,3-diazinan-1-yl]methyl]-N,N-dimethylaniline
• CAS No.: 500579-04-4
• Molecular Formula: C27H35N5
• Molecular Weight: 429.60
• Hs Code.: 29349990
• NSC Number: 136476
• DSSTox Substance ID: DTXSID50329591
• Nikkaji Number: J2.771.649K
• Wikidata: Q27166081
• ChEMBL ID: CHEMBL471728
• Mol file: 500579-04-4.mol

Synonyms:GANT 61;GANT-61;GANT61

Chemical Property of 2-[[3-[[2-(dimethylamino)phenyl]methyl]-2-pyridin-4-yl-1,3-diazinan-1-yl]methyl]-N,N-dimethylaniline

Chemical Property:

• Boiling Point: 548.999 °C at 760 mmHg
• PKA: 5.97±0.10(Predicted)
• Flash Point: 285.825 °C
• PSA: 25.85000
• Density: 1.135 g/cm³
• LogP: 4.49610
• Storage Temp.: Store at -20°C
• Solubility.: DMSO: >2mg/mL
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 429.28924614
• Heavy Atom Count: 32
• Complexity: 508

Purity/Quality:

99% ^*data from raw suppliers

GANT 61 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=CC=CC=C1CN2CCCN(C2C3=CC=NC=C3)CC4=CC=CC=C4N(C)C
• Uses: GANT61 is an inhibitor for GLI1 as well as GLI2-induced transcription, inhibits hedgehog, displays selectivity over other pathways, such as TNF and glucocorticoid receptor gene transactivation.

Technology Process of 2-[[3-[[2-(dimethylamino)phenyl]methyl]-2-pyridin-4-yl-1,3-diazinan-1-yl]methyl]-N,N-dimethylaniline

There total 1 articles about 2-[[3-[[2-(dimethylamino)phenyl]methyl]-2-pyridin-4-yl-1,3-diazinan-1-yl]methyl]-N,N-dimethylaniline 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: 90.0%

pyridine-4-carbaldehyde (872-85-5) + N1,N3-(bis-2-isopropylbenzyl)propane-1,3-diamine → 2,2'-[[dihydro-2-(4-pyridinyl)-1,3(2H,4H)-pyrimidinediyl]bis-(methylene)]bis(N,N-dimethyl-benzenamine) (500579-04-4)

Guidance literature:

In tetrahydrofuran; for 18h; Reflux;

DOI:10.1080/14756366.2017.1419221

upstream raw materials:

pyridine-4-carbaldehyde

Refernces