Ifetroban

Base Information

• Chemical Name: Ifetroban
• CAS No.: 143443-90-7
• Molecular Formula: C₂₅H₃₂N₂O₅
• Molecular Weight: 440.539
• UNII: E833KT807K
• DSSTox Substance ID: DTXSID40869931
• Nikkaji Number: J551.435E
• Wikipedia: Ifetroban
• Wikidata: Q5991162
• NCI Thesaurus Code: C81570
• Metabolomics Workbench ID: 153332
• ChEMBL ID: CHEMBL3301673
• Mol file: 143443-90-7.mol

Synonyms:BMS 180291;BMS-180291;BMS180291;ifetroban

Chemical Property of Ifetroban

Chemical Property:

• Boiling Point: 663.6°Cat760mmHg
• Flash Point: 355.1°C
• Density: 1.206g/cm³
• XLogP3: 4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 440.23112213
• Heavy Atom Count: 32
• Complexity: 644

Purity/Quality:

99% ^*data from raw suppliers

IFETROBAN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCNC(=O)C1=COC(=N1)C2C3CCC(C2CC4=CC=CC=C4CCC(=O)O)O3
• Isomeric SMILES: CCCCCNC(=O)C1=COC(=N1)[C@@H]2[C@H]3CC[C@@H]([C@@H]2CC4=CC=CC=C4CCC(=O)O)O3
• Recent ClinicalTrials: Oral Ifetroban to Treat Diffuse Cutaneous Systemic Sclerosis (SSc) or SSc-associated Pulmonary Arterial Hypertension
• Uses: Antithrombotic.

Technology Process of Ifetroban

There total 26 articles about Ifetroban 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: 85.0%

<1S-(1α,2α,3α,4α)>-2-<<3-<4-<(pentylamino)carbonyl>-2-oxazolyl>-7-oxabicyclo<2.2.1>hept-2-yl>methyl>benzenepropanoic acid methyl ester (142663-84-1) → [14C]-Ifetroban (143443-90-7)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; water; for 2h; Ambient temperature;

DOI:10.1021/jm00062a013

Reference yield: 80.0%

3-{2-[(1S,2R,3S,4R)-3-((E)-2-Bromo-1-pentylcarbamoyl-vinylcarbamoyl)-7-oxa-bicyclo[2.2.1]hept-2-ylmethyl]-phenyl}-propionic acid methyl ester → [1S-(1α,2α,3β,4α)]-2-[[3-[4-[(Pentylamino)carbonyl]-2-oxazolyl]-7-oxabicyclo[2.2.1]hept-2-yl]methyl]benzenepropanoic acid (143443-90-7)

Guidance literature:

With sodium hydroxide; In methanol; at 25 ℃; for 48h;

DOI:10.1016/S0040-4039(00)74756-3

Reference yield:

<1S-(1α,2α,3α,4α)>-2-<<3-<4-<(pentylamino)carbonyl>-2-oxazolyl>-7-oxabicyclo<2.2.1>hept-2-yl>methyl>benzenepropanoic acid methyl ester (142663-84-1) → 1S-(1α,2α,3α,4α)-2-[[3-[4-[(Pentylamino)carbonyl]-2-oxazolyl]-7-oxabicyclo[2.2.1]hept-2-yl]methyl]benzenepropanoic acid (133026-97-8,143443-90-7)

Guidance literature:

With hydrogenchloride; sodium hydroxide; In tetrahydrofuran;

upstream raw materials:

<1S-(1α,2α,3α,4α)>-2-<(3-carboxy-7-oxabicyclo<2.2.1>hept-2-yl)methyl>benzenepropanoic acid methyl ester

[1S-[1α,2α,3α(R*),4α]]-2-[[3-[[[1-Methylene-2-oxo-2-(pentylamino)ethyl]amino]carbonyl]-7-oxabicyclo[2.2.1]hept-2-yl]methyl]benzenepropanoic acid, methyl ester

3-{2-[(1S,2R,3S,4R)-3-((S)-2-Hydroxy-1-pentylcarbamoyl-ethylcarbamoyl)-7-oxa-bicyclo[2.2.1]hept-2-ylmethyl]-phenyl}-propionic acid methyl ester

[1S-(1α,2α,3β,4α)]-2-[[3-[4-[(Pentylamino)carbonyl]-2-oxazolyl]-7-oxabicyclo[2.2.1]hept-2-yl]methyl]benzenepropanoic acid, methyl ester

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 143443-90-7 Ifetroban

Send

Send

Metric Ton KG G Pound L ML

Send

Send