Genz-644282

Base Information

• Chemical Name: Genz-644282
• CAS No.: 529488-28-6
• Molecular Formula: C22H21N3O5
• Molecular Weight: 407.42
• UNII: 717I541I2R
• DSSTox Substance ID: DTXSID301025941
• Wikidata: Q27265941
• NCI Thesaurus Code: C84851
• ChEMBL ID: CHEMBL191958
• Mol file: 529488-28-6.mol

Synonyms:8,9-dimethoxy-5-(2-N-methylaminoethyl)-2,3-methylenedioxy-5H-dibenzo(c,h)(1,6)naphthyridin-6-one;Genz-644282

Chemical Property of Genz-644282

Chemical Property:

• Melting Point: 254-257℃ (Decomposition)
• Boiling Point: 665.5±55.0 °C(Predicted)
• PKA: 9.59±0.10(Predicted)
• PSA: 83.84000
• Density: 1.344±0.06 g/cm3(Predicted)
• LogP: 3.05910
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly)
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 407.14812078
• Heavy Atom Count: 30
• Complexity: 636

Purity/Quality:

99%, ^*data from raw suppliers

GENZ-644282 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCCN1C2=C(C=NC3=CC4=C(C=C32)OCO4)C5=CC(=C(C=C5C1=O)OC)OC
• Recent ClinicalTrials: Dose Escalation Study to Assess the Safety and Tolerability of Genz-644282 in Patients With Solid Tumors
• Uses: GENZ-644282 is used in the synthesis of ARC-111 analogs in the improvement of the antitumor activity of the parent compound.

Technology Process of Genz-644282

There total 8 articles about Genz-644282 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: 95.0%

12-[2-(benzyl-methyl-amino)-ethyl]-2,3-dimethoxy-12H-8,10-dioxa-6,12-diaza-cyclopenta[b]chrysen-13-one (847573-86-8) → 2,3-dimethoxy-12-(2-(methylamino)ethyl)[1,3]dioxolo[4',5':4,5]-benzo[1,2-h]benzo[c][1,6]naphthyridin-13(12H)-one (529488-28-6)

Guidance literature:

With formic acid; acetic acid; palladium; at 20 ℃; for 1.5h;

DOI:10.1021/jm049447z

Reference yield:

2-iodo-4,5-dimethoxybenzoic acid (61203-48-3) → 2,3-dimethoxy-12-(2-(methylamino)ethyl)[1,3]dioxolo[4',5':4,5]-benzo[1,2-h]benzo[c][1,6]naphthyridin-13(12H)-one (529488-28-6)

Guidance literature:

Multi-step reaction with 4 steps

1: oxalyl chloride / CH₂Cl₂ / 4 h / Heating

2: 1.44 g / Et₃N / CH₂Cl₂ / 16 h / Heating

3: 35 percent / Pd(OAc)2; P(o-tolyl)3; Ag₂CO₃ / dimethylformamide / 0.5 h / Heating

4: 95 percent / formic acid; AcOH / Pd black / 1.5 h / 20 °C

With palladium diacetate; formic acid; oxalyl dichloride; acetic acid; triethylamine; tris-(o-tolyl)phosphine; silver carbonate; palladium; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1021/jm049447z

Reference yield:

2-amino-4,5-methylenedioxy-acetophenone (28657-75-2) → 2,3-dimethoxy-12-(2-(methylamino)ethyl)[1,3]dioxolo[4',5':4,5]-benzo[1,2-h]benzo[c][1,6]naphthyridin-13(12H)-one (529488-28-6)

Guidance literature:

Multi-step reaction with 6 steps

1.1: 89 percent / NaH / Heating

2.1: 91 percent / POCl₃ / 2 h / Heating

3.1: phenol / 2.5 h / Heating

3.2: 65 percent / phenol / 20 h / Heating

4.1: 1.44 g / Et₃N / CH₂Cl₂ / 16 h / Heating

5.1: 35 percent / Pd(OAc)2; P(o-tolyl)3; Ag₂CO₃ / dimethylformamide / 0.5 h / Heating

6.1: 95 percent / formic acid; AcOH / Pd black / 1.5 h / 20 °C

With palladium diacetate; formic acid; sodium hydride; acetic acid; triethylamine; tris-(o-tolyl)phosphine; silver carbonate; trichlorophosphate; phenol; palladium; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1021/jm049447z

upstream raw materials:

12-[2-(benzyl-methyl-amino)-ethyl]-2,3-dimethoxy-12H-8,10-dioxa-6,12-diaza-cyclopenta[b]chrysen-13-one

2-iodo-4,5-dimethoxybenzoic acid

2-amino-4,5-methylenedioxy-acetophenone

4,5-dimethoxy-2-iodobenzoyl chloride

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 529488-28-6 Genz644282

Send

Send

Metric Ton KG G Pound L ML

Send

Send