Acetamide, N-(3-chloro-2-anthraquinonyl)-

Base Information

• Chemical Name: Acetamide, N-(3-chloro-2-anthraquinonyl)-
• CAS No.: 84-42-4
• Molecular Formula: C16H10 Cl N O3
• Molecular Weight: 299.713
• Hs Code.: 2924299090
• European Community (EC) Number: 201-528-6
• NSC Number: 127783
• UNII: V38JRC3BMS
• DSSTox Substance ID: DTXSID20232886
• Nikkaji Number: J54.058G
• Mol file: 84-42-4.mol

Synonyms:84-42-4;Acetamide, N-(3-chloro-2-anthraquinonyl)-;2-Acetamido-3-chloroanthraquinone;3X-2-Aaa [Russian];Anthraquinone, 2-acetamido-3-chloro-;2-Chloro-3-(acetylamino)anthraquinone;N-(3-Chloro-2-anthraquinonyl)acetamide;N-(3-chloro-9,10-dioxoanthracen-2-yl)acetamide;3X-2-AAA;N-(3-Chloro-9,10-dihydro-9,10-dioxo-2-anthryl)acetamide;EINECS 201-528-6;V38JRC3BMS;NSC 127783;3X-2-AAA [Russian];BRN 3390808;Acetamide, N-(3-chloro-9,10-dihydro-9,10-dioxo-2-anthracenyl)-;NSC-127783;Acetamide, N-(3-chloro-9,10-dihydro-9,10-dioxo-1-anthracenyl)-;Acetamide,N-(3-chloro-9,10-dihydro-9,10-dioxo-2-anthracenyl)-;C16H10ClNO3;3-14-00-00435 (Beilstein Handbook Reference);N-(3-chloro-9,10-dioxo-9,10-dihydroanthracen-2-yl)acetamide;NSC127783;UNII-V38JRC3BMS;DTXSID20232886;2-Acetylamino-3-chloroanthraquinone;STK805994;AKOS001593435;LS-8441;WLN: L C666 BV IVJ EMV1 FG;EU-0034589;N-(3-chlor-9,10-dihydro-9,10-dioxo-2-anthryl)acetamid;N-(3-Chloro-9,10-dioxo-9,10-dihydro-anthracen-2-yl)-acetamide

Chemical Property of Acetamide, N-(3-chloro-2-anthraquinonyl)-

Chemical Property:

• Vapor Pressure: 1.18E-13mmHg at 25°C
• Boiling Point: 584.6°C at 760 mmHg
• Flash Point: 307.4°C
• PSA: 63.24000
• Density: 1.468g/cm³
• LogP: 3.14680
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 299.0349209
• Heavy Atom Count: 21
• Complexity: 478

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=C(C=C2C(=C1)C(=O)C3=CC=CC=C3C2=O)Cl

Technology Process of Acetamide, N-(3-chloro-2-anthraquinonyl)-

There total 2 articles about Acetamide, N-(3-chloro-2-anthraquinonyl)- 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:

2-amino-3-chloro-9,10-anthracenedione (84-46-8) + acetic anhydride (108-24-7) → N-(3-chloro-9,10-dioxo-9,10-dihydro-[2]anthryl)-acetamide (84-42-4)

Guidance literature:

With sulfuric acid;

Reference yield:

2-amino-3-chloro-9,10-anthracenedione (84-46-8) + acetyl chloride (75-36-5) → N-(3-chloro-9,10-dioxo-9,10-dihydro-[2]anthryl)-acetamide (84-42-4)

Guidance literature:

With nitrobenzene;

Reference yield:

N-(3-chloro-9,10-dioxo-9,10-dihydro-[2]anthryl)-acetamide (84-42-4) → 7,16-dichloro-6,15-dihydroanthrazine-5,9,14,18-tetrone (130-20-1)

Guidance literature:

With sodium hydroxide; sulfur trioxide; iron(III) chloride; Reagens 4: Salzsaeure; Reaktion ueber mehrere Stufen;

upstream raw materials:

2-amino-3-chloro-9,10-anthracenedione

acetic anhydride

acetyl chloride

Downstream raw materials:

7,16-dichloro-6,15-dihydroanthrazine-5,9,14,18-tetrone

Refernces

Substrate specificity and inhibition of human kallikrein-related peptidase 3 (KLK3 or PSA) activated with sodium citrate and glycosaminoglycans

10.1016/j.abb.2010.03.022

The research presents an in-depth study on the enzymatic properties and substrate specificity of human recombinant kallikrein-related peptidase 3 (KLK3), also known as prostate-specific antigen (PSA), in the presence of glycosaminoglycans (GAGs) and sodium citrate. The experiments involved the use of various substrates, including fluorescence resonance energy transfer (FRET) peptides and angiotensin I, to assess the hydrolytic efficiency of KLK3. The study utilized recombinant KLK3 expressed in an insect/baculovirus system and employed techniques such as heparin–Sepharose affinity chromatography, radioimmunoassay, and spectrofluorimetry to evaluate the effects of sodium citrate and GAGs on KLK3's conformation and activity. The analyses included kinetic measurements, pH profiling, and inhibition assays with compounds like Z-Pro-Prolinal and ortho-phenantroline, providing insights into the enzyme's activation, specificity, and potential for inhibitor design.

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