2-Bromo-N-(3-butyramidophenyl)benzamide

Base Information

Chemical Name:2-Bromo-N-(3-butyramidophenyl)benzamide
CAS No.:423735-93-7
Molecular Formula:C17H17BrN2O2
Molecular Weight:361.238
Hs Code.:2924299090
European Community (EC) Number:803-969-5
DSSTox Substance ID:DTXSID20359961
Nikkaji Number:J3.432.760B
Wikidata:Q27164762
ChEMBL ID:CHEMBL1411333
Mol file:423735-93-7.mol

Synonyms:2-bromo-N-(3-butyramidophenyl)benzamide;ML 161;parmodulin 2;parmodulin-2

Suppliers and Price of 2-Bromo-N-(3-butyramidophenyl)benzamide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
ML 161
10mg
$ 425.00

Usbiological
ML 161
10mg
$ 423.00

TRC
ML161
50mg
$ 455.00

Tocris
ML161 ≥98%(HPLC)
50
$ 657.00

Tocris
ML161 ≥98%(HPLC)
10
$ 156.00

Sigma-Aldrich
ML-161 ≥98% (HPLC)
5mg
$ 92.60

Sigma-Aldrich
ML-161 ≥98% (HPLC)
25mg
$ 363.00

Medical Isotopes, Inc.
ML161
100 mg
$ 2000.00

Medical Isotopes, Inc.
ML161
10 mg
$ 625.00

DC Chemicals
ML161 >98%
100 mg
$ 400.00

Total 34 raw suppliers

Chemical Property of 2-Bromo-N-(3-butyramidophenyl)benzamide

Chemical Property:

Boiling Point:465.7±30.0 °C(Predicted)
PKA:12.37±0.70(Predicted)
PSA：65.18000
Density:1.441±0.06 g/cm3(Predicted)
LogP:5.47350
Storage Temp.:2-8°C
Solubility.:DMSO: soluble5mg/mL (clear solution)
XLogP3:3.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:360.04734
Heavy Atom Count:22
Complexity:389

Purity/Quality:

99%, ^*data from raw suppliers

ML 161 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCC(=O)NC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2Br
Description ML-161 is an allosteric, reversible inhibitor of proteinase-activated receptor 1 (PAR1) on platelets, preventing surface expression of P-selectin induced by the peptide SFLLRN with an IC50 value of 0.26 μM. It blocks platelet activation induced by thrombin as well as by SFLLRN but not by PMA , U-46619 , or collagen.
Uses ML 161 is a diaminobenzene derivative that acts as a selective inhibitor of platelet activation at protease-activated receptor 1 (PAR1). ML 161 has also been shown to inhibit thrombin-induced platelet activation. ML 161 is a diaminobenzene derivative that acts as a selective inhibitor of platelet activation at protease-activated receptor 1 (PAR1). ML 161 has also been shown to inhibit thrombin-induced platelet activation.

Technology Process of 2-Bromo-N-(3-butyramidophenyl)benzamide

There total 3 articles about 2-Bromo-N-(3-butyramidophenyl)benzamide 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: 94.0%

: 93469-29-5
3-butyrylaminoaniline

: 88-65-3
2-bromobenzoic-acid

: 423735-93-7
ML₁₆₁

Guidance literature:: 2-bromobenzoic-acid; With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; for 3h; Inert atmosphere; Cooling with ice;

3-butyrylaminoaniline; With pyridine; In dichloromethane; for 18h; Inert atmosphere;
DOI:10.1021/ml2002696

Reference yield:

: 99-09-2
3-nitro-aniline

: 423735-93-7
ML₁₆₁

Guidance literature:: Multi-step reaction with 3 steps

1.1: N-ethyl-N,N-diisopropylamine / dichloromethane / 16 h / 0 - 20 °C / Inert atmosphere

2.1: 5%-palladium/activated carbon; hydrogen / methanol / 16 h

3.1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 3 h / Inert atmosphere; Cooling with ice

3.2: 18 h / Inert atmosphere

With oxalyl dichloride; 5%-palladium/activated carbon; hydrogen; N-ethyl-N,N-diisopropylamine; N,N-dimethyl-formamide; In methanol; dichloromethane;
DOI:10.1021/ml2002696

Reference yield:

: 107829-09-4
N-(3-nitrophenyl)butyramine

: 423735-93-7
ML₁₆₁

Guidance literature:: Multi-step reaction with 2 steps

1.1: 5%-palladium/activated carbon; hydrogen / methanol / 16 h

2.1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 3 h / Inert atmosphere; Cooling with ice

2.2: 18 h / Inert atmosphere

With oxalyl dichloride; 5%-palladium/activated carbon; hydrogen; N,N-dimethyl-formamide; In methanol; dichloromethane;
DOI:10.1021/ml2002696