2-Propen-1-one, 1-(4-acetyl-1-piperazinyl)-3-(4-((2-(1-methylethyl)phenyl)thio)-3-nitrophenyl)-

Base Information

• Chemical Name: 2-Propen-1-one, 1-(4-acetyl-1-piperazinyl)-3-(4-((2-(1-methylethyl)phenyl)thio)-3-nitrophenyl)-
• CAS No.: 280749-17-9
• Molecular Formula: C24H27N3O4S
• Molecular Weight: 453.55400
• UNII: 5I8WFS075A
• DSSTox Substance ID: DTXSID601328277
• Nikkaji Number: J1.433.716D,J1.538.411E
• Wikidata: Q27074059
• Pharos Ligand ID: NZM1C632BVC1
• ChEMBL ID: CHEMBL19677
• Mol file: 280749-17-9.mol

Synonyms:2-isopropylphenyl 2-nitro-4-(((4-acetylpiperazin-1-yl)carbonyl)ethenyl)phenyl sulfide;A 286,982;A 286982;A-286,982;A-286982

Chemical Property of 2-Propen-1-one, 1-(4-acetyl-1-piperazinyl)-3-(4-((2-(1-methylethyl)phenyl)thio)-3-nitrophenyl)-

Chemical Property:

• PSA: 111.74000
• LogP: 4.97230
• Storage Temp.: ?20°C
• Solubility.: DMSO: soluble10mg/mL, clear
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 453.17222752
• Heavy Atom Count: 32
• Complexity: 700

Purity/Quality:

97% ^*data from raw suppliers

A 286982 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C=CC(=O)N3CCN(CC3)C(=O)C)[N+](=O)[O-]
• Isomeric SMILES: CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)/C=C/C(=O)N3CCN(CC3)C(=O)C)[N+](=O)[O-]
• Description: A286982 is an inhibitor that blocks the integrin-ligand interaction between leukocyte function-associated antigen-1 (LFA-1) and intercellular adhesion molecule-1 (ICAM-1; IC50 = 35 nM). It inhibits adhesion of JY-8 cells to ICAM-1-coated microtiter plates (IC50 = 44 nM).
• Uses: A 286982 is a potent lymphocyte function-associated antigen-1 (LFA-1) and intracellular adhesion mol.-1 (ICAM-1) interaction inhibitor.

Technology Process of 2-Propen-1-one, 1-(4-acetyl-1-piperazinyl)-3-(4-((2-(1-methylethyl)phenyl)thio)-3-nitrophenyl)-

There total 4 articles about 2-Propen-1-one, 1-(4-acetyl-1-piperazinyl)-3-(4-((2-(1-methylethyl)phenyl)thio)-3-nitrophenyl)- 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-isopropylbenzenethiol (6262-87-9) + 1-chloro-2-nitro-4-((E)-((4-acetylpiperazin-1-yl)carbonyl)ethenyl)benzene (301179-69-1) → (2-iso-propylphenyl)[2-nitro-4-(E-((4-acetylpiperazin-1-yl)carbonyl)ethenyl)phenyl]sulfide (280749-17-9)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

DOI:10.1021/jm0002782

Reference yield:

N-acetylpiperidine (13889-98-0) → (2-iso-propylphenyl)[2-nitro-4-(E-((4-acetylpiperazin-1-yl)carbonyl)ethenyl)phenyl]sulfide (280749-17-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 91.6 percent / EDAC / dimethylformamide / 2 h / 20 °C

2: K₂CO₃ / dimethylformamide / 1 h / 20 °C

With potassium carbonate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; 1: Acylation / 2: Substitution;

DOI:10.1021/jm0002782

Reference yield:

(E)-4-chloro-3-nitrocinnamic acid (20797-48-2,199679-38-4) → (2-iso-propylphenyl)[2-nitro-4-(E-((4-acetylpiperazin-1-yl)carbonyl)ethenyl)phenyl]sulfide (280749-17-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 91.6 percent / EDAC / dimethylformamide / 2 h / 20 °C

2: K₂CO₃ / dimethylformamide / 1 h / 20 °C

With potassium carbonate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; 1: Acylation / 2: Substitution;

DOI:10.1021/jm0002782

upstream raw materials:

2-isopropylbenzenethiol

1-chloro-2-nitro-4-((E)-((4-acetylpiperazin-1-yl)carbonyl)ethenyl)benzene

N-acetylpiperidine

(E)-4-chloro-3-nitrocinnamic acid

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 280749-17-9 A 286982

Send

Send

Metric Ton KG G Pound L ML

Send

Send