BIX 01294, 2-(Hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-6,7-dimethoxy-N-[1-(phenylmethyl)-4-piperidinyl]-4-quinazolinamine hydrate trihydrochloride

Base Information

• Chemical Name: BIX 01294, 2-(Hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-6,7-dimethoxy-N-[1-(phenylmethyl)-4-piperidinyl]-4-quinazolinamine hydrate trihydrochloride
• CAS No.: 935693-62-2
• Molecular Formula: C28H38N6O2
• Molecular Weight: 490.649
• Mol file: 935693-62-2.mol

Synonyms:BIX 01294 hydrate trihydrochloride;BIX 01294, 2-(Hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-6,7-dimethoxy-N-[1-(phenylmethyl)-4-piperidinyl]-4-quinazolinamine hydrate trihydrochloride;2-(Hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-6,7-dimethoxy-N-[1-(phenylmethyl)-4-piperidinyl]-4-quinazolinaminetrihydrochloride;BIX 01294;4-QuinazolinaMine, 2-(hexahydro-4-Methyl-1H-1,4-diazepin-1-yl)-6,7-diMethoxy-N-[1-(phenylMethyl)-4-piperidinyl]-;BIX 01294 (free base);2-(Hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-6,7-dimethoxy-N-[1-(phenylmethyl)-4-piperidinyl]-4-quinazolinamine;2-(Hexahydro-4-Methyl-1H-1,4-diazepin-1-yl)-6,7-diMethoxy-N-[1-(phenylMethyl)-4-piperidinyl]-4-quinazolinaMine hydrate trihydrochloride

Chemical Property of BIX 01294, 2-(Hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-6,7-dimethoxy-N-[1-(phenylmethyl)-4-piperidinyl]-4-quinazolinamine hydrate trihydrochloride

Chemical Property:

• Boiling Point: 654.6±65.0 °C(Predicted)
• PKA: 9.34±0.70(Predicted)
• PSA: 75.22000
• Density: 1.195±0.06 g/cm3(Predicted)
• LogP: 6.22090
• Storage Temp.: 2-8°C
• Solubility.: Soluble in DMSO (up to 50 mg/ml), or in Water (up to 50 mg/ml).

Purity/Quality:

99%, ^*data from raw suppliers

BIX 01294 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Description: BIX-01294 (935693-62-2) is a selective inhibitor of G9a histone methyltransferase (G9aHMTase; IC50 = 1.7 μM) as well as GLP HMTase (IC50 = 38 μM) leading to a decrease in H3K9me2(histone H3 lysine 9 methylation) in vitro.1 BIX-01294 facilitates the reactivation of pluripotency genes and induces passive demethylation, thus promoting reprogramming. BIX-01294, in combination with BAY K8644 (a calcium channel agonist), was found to improve reprogramming efficiencies of Oct4-Klf4-(OK)-infected neural progenitor cells.3
• Uses: BIX 01294 is a euchromatic histone-lysine N-methyltransferase 2 (EHMT2) inhibitor, induces autophagy and apoptosis in human neuroblastoma cells, specifically human bladder cancer cells.

Technology Process of BIX 01294, 2-(Hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-6,7-dimethoxy-N-[1-(phenylmethyl)-4-piperidinyl]-4-quinazolinamine hydrate trihydrochloride

There total 5 articles about BIX 01294, 2-(Hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-6,7-dimethoxy-N-[1-(phenylmethyl)-4-piperidinyl]-4-quinazolinamine hydrate trihydrochloride 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: 80.0%

1-Methylhomopiperazine (4318-37-0) + N-(1-benzylpiperidin-4-yl)-2-chloro-6,7-dimethoxyquinazolin-4-amine → N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine (935693-62-2)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; isopropyl alcohol; at 160 ℃; for 0.166667h; Microwave irradiation;

DOI:10.1021/jm901543m

Reference yield: 74.0%

1-Methylhomopiperazine (4318-37-0) + C22H25ClN4O2 → N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine (935693-62-2)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; at 160 ℃; for 0.166667h; Microwave irradiation;

Reference yield:

2-chloro-6,7-dimethoxy-3H-quinazolin-4-one (27631-29-4) → N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine (935693-62-2)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / tetrahydrofuran / 20 h / 20 °C

2: toluene / 0.83 h / 130 °C / Microwave irradiation

With triethylamine; In tetrahydrofuran; toluene;

DOI:10.1039/c7md00052a

upstream raw materials:

1-Methylhomopiperazine

4-amino-1-benzylpiperidine

2-chloro-6,7-dimethoxy-3H-quinazolin-4-one

1-(4-aminobenzyl)piperidine

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