(S)-3-(4-(1-(3-(3,5-Dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-1-yl)ethyl)benzamido)propanoic acid

Base Information

Chemical Name:(S)-3-(4-(1-(3-(3,5-Dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-1-yl)ethyl)benzamido)propanoic acid
CAS No.:870823-12-4
Molecular Formula:C₃₂H₂₇Cl₂N₃O₄
Molecular Weight:588.49
Hs Code.:
UNII:CCP2U6LWTP
ChEMBL ID:CHEMBL1933349
DSSTox Substance ID:DTXSID40468726
Metabolomics Workbench ID:153102
Nikkaji Number:J2.933.505B
Pharos Ligand ID:266LAXN2VW8Q
Wikidata:Q27086715
Mol file:870823-12-4.mol

Synonyms:MK 0893;MK-0893;MK0893;N-((4-(1-(3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-1-yl)ethyl)phenyl)carbonyl)-beta-alanine

Suppliers and Price of (S)-3-(4-(1-(3-(3,5-Dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-1-yl)ethyl)benzamido)propanoic acid

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

DC Chemicals
MK-0893 >98%
10 mg
$ 456.00

ChemScene
MK0893 99.33%
50mg
$ 1710.00

ChemScene
MK0893 99.33%
10mg
$ 684.00

Chemenu
(S)-3-(4-(1-(3-(3,5-Dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-1-yl)ethyl)benzamido)propanoicacid 98%
10mg
$ 347.00

Chemenu
(S)-3-(4-(1-(3-(3,5-Dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-1-yl)ethyl)benzamido)propanoicacid 98%
50mg
$ 868.00

Biorbyt Ltd
MK-0893
10 mg
$ 698.70

Biorbyt Ltd
MK-0893
50 mg
$ 1711.90

ApexBio Technology
MK0893
50mg
$ 1425.00

ApexBio Technology
MK0893
10mM (in 1mL DMSO)
$ 410.00

ApexBio Technology
MK0893
5mg
$ 315.00

Total 10 raw suppliers

Chemical Property of (S)-3-(4-(1-(3-(3,5-Dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-1-yl)ethyl)benzamido)propanoic acid

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Refractive Index:1.649
Boiling Point:813.991oC at 760 mmHg
PKA:4.28±0.10(Predicted)
Flash Point:446.086oC
PSA：93.45000
Density:1.33
LogP:7.89040
Solubility.:≥24.05 mg/mL in DMSO; insoluble in H2O; ≥4.8 mg/mL in EtOH with gentle warming and ultrasonic
XLogP3:6.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:587.1378617
Heavy Atom Count:41
Complexity:877

Purity/Quality:

97% ^*data from raw suppliers

MK-0893 >98% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C1=CC=C(C=C1)C(=O)NCCC(=O)O)N2C(=CC(=N2)C3=CC(=CC(=C3)Cl)Cl)C4=CC5=C(C=C4)C=C(C=C5)OC
Isomeric SMILES:C[C@@H](C1=CC=C(C=C1)C(=O)NCCC(=O)O)N2C(=CC(=N2)C3=CC(=CC(=C3)Cl)Cl)C4=CC5=C(C=C4)C=C(C=C5)OC
Recent ClinicalTrials:A Study to Assess the Safety, Tolerability and Glucose-Lowering Efficacy of MK-0893 in Participants With Type 2 Diabetes Mellitus (MK-0893-005)
Recent EU Clinical Trials:A Phase IIa, Multicenter, Double-Blind, Randomized, Active Comparator-Controlled Clinical Trial to Study the Efficacy and Safety of MK-0893 in Combination With Sitagliptin or in Combination With Metformin in Patients With Type 2 Diabetes Mellitus Who Have Inadequate Glycemic Control.

Technology Process of (S)-3-(4-(1-(3-(3,5-Dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-1-yl)ethyl)benzamido)propanoic acid

There total 9 articles about (S)-3-(4-(1-(3-(3,5-Dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-1-yl)ethyl)benzamido)propanoic acid 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:

: 870823-13-5
tert-butyl N-(4-{(1S)-1-[3-(3,5-dichlorophenyl)-5-(6-methoxy-2-naphthyl)-1H-pyrazol-1-yl]ethyl}benzoyl)-β-alaninate

: 870823-12-4
MK-0893

Guidance literature:: With trifluoroacetic acid; In dichloromethane; for 0.5h;

Reference yield:

: 870822-98-3
tert-butyl N-{4-[1-(3-(3,5-dichlorophenyl)-5-{[(trifluoromethyl)sulfonyl]oxy}-1H-pyrazol-1-yl)ethyl]-benzoyl}-β-alaninate

: 870823-12-4
MK-0893

Guidance literature:: Multi-step reaction with 2 steps

1: tetrakis(triphenylphosphine) palladium⁽⁰⁾; triethylamine / 1,2-dimethoxyethane / 0.17 h / 100 °C / Microwave irradiation; Inert atmosphere

2: trifluoroacetic acid / dichloromethane / Inert atmosphere

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; triethylamine; trifluoroacetic acid; In 1,2-dimethoxyethane; dichloromethane; 1: Suzuki coupling;
DOI:10.1021/jm300579z

Reference yield:

: 875558-57-9
{(1S)1-[4-(ethoxycarbonyl)phenyl]ethyl}hydrazinium chloride

: 870823-12-4
MK-0893

Guidance literature:: Multi-step reaction with 5 steps

1.1: acetic acid / 4 h / Reflux

2.1: sodium hydroxide / 1,4-dioxane; methanol / 1 h / 60 °C

2.2: 3 h / 20 °C

3.1: triethylamine / tetrahydrofuran / 1 h / -78 °C

4.1: tetrakis(triphenylphosphine) palladium⁽⁰⁾; triethylamine / 1,2-dimethoxyethane / 0.17 h / 100 °C / Microwave irradiation; Inert atmosphere

5.1: trifluoroacetic acid / dichloromethane / Inert atmosphere

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; acetic acid; triethylamine; trifluoroacetic acid; sodium hydroxide; In tetrahydrofuran; 1,4-dioxane; methanol; 1,2-dimethoxyethane; dichloromethane; 4.1: Suzuki coupling;
DOI:10.1021/jm300579z