AV-412 Tosylate

Base Information

• Chemical Name: AV-412 Tosylate
• CAS No.: 451493-31-5
• Deprecated CAS: 1022984-77-5
• Molecular Formula: C41H44ClFN6O7S2
• Molecular Weight: 851.4054632
• UNII: Z541VW0W40
• Metabolomics Workbench ID: 149614
• NCI Thesaurus Code: C64627
• Pharos Ligand ID: Z7H1JL5Z5V5Q
• Wikidata: Q27295006
• Mol file: 451493-31-5.mol

Synonyms:AV 412;AV-412;AV412 cpd;MP 412;MP-412;MP412 cpd;N-(4-((3-chloro-4-fluorophenyl)amino)-7-(3-methyl-3-(4-methyl-1-piperazinyl)-1-butyn-1-yl)-6-quinazolinyl)acrylamide

Chemical Property of AV-412 Tosylate

Chemical Property:

• PSA: 198.89000
• LogP: 9.33470
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 9
• Exact Mass: 850.2385460
• Heavy Atom Count: 58
• Complexity: 1060

Purity/Quality:

97% ^*data from raw suppliers

AV412 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(C#CC1=CC2=C(C=C1NC(=O)C=C)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)N4CCN(CC4)C
• Recent ClinicalTrials: Safety/Tolerability Study of AV-412 in Subjects With Refractory or Relapsed Solid Tumor Malignancies

Technology Process of AV-412 Tosylate

There total 2 articles about AV-412 Tosylate 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:

MP-412 (451492-95-8) + toluene-4-sulfonic acid (104-15-4) → C7H8O3S*C27H28ClFN6O (451493-36-0,451493-31-5)

Guidance literature:

In ethyl acetate; at 20 ℃; for 2h;

Reference yield:

MP-412 (451492-95-8) + toluene-4-sulfonic acid (104-15-4) → MP-412 ditosylate (451493-31-5)

Guidance literature:

In ethanol; ethyl acetate; at 20 ℃; for 3h;

upstream raw materials:

MP-412

toluene-4-sulfonic acid

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