Dirlotapide

Base Information

Chemical Name:Dirlotapide
CAS No.:481658-94-0
Molecular Formula:C40H33F3N4O3
Molecular Weight:674.7102
Hs Code.:
UNII:578H0RMP25
DSSTox Substance ID:DTXSID00897432
Nikkaji Number:J2.803.920D
Wikipedia:Dirlotapide
Wikidata:Q5280905
NCI Thesaurus Code:C77329
Pharos Ligand ID:MLBJ174D1F2Y
Metabolomics Workbench ID:152604
ChEMBL ID:CHEMBL410414
Mol file:481658-94-0.mol

Synonyms:5-((4'-trifluoromethyl-biphenyl-2-carbonyl)-amino)-1H-indole-2-carboxylic acid benzylmethyl carbamoylamide;dirlotapide

Suppliers and Price of Dirlotapide

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

Total 17 raw suppliers

Chemical Property of Dirlotapide

Chemical Property:

Boiling Point:821.2±65.0 °C(Predicted)
PKA:12.40±0.46(Predicted)
PSA：83.44000
Density:1.25±0.1 g/cm3(Predicted)
LogP:8.71000
XLogP3:7.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:674.25047541
Heavy Atom Count:50
Complexity:1150

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3C4=CC=C(C=C4)C(F)(F)F)C=C1C(=O)NC(C5=CC=CC=C5)C(=O)N(C)CC6=CC=CC=C6
Isomeric SMILES:CN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3C4=CC=C(C=C4)C(F)(F)F)C=C1C(=O)N[C@@H](C5=CC=CC=C5)C(=O)N(C)CC6=CC=CC=C6
Recent ClinicalTrials:Effects of Fenofibrate on the Safety, Toleration and Efficacy Biomarkers of CP-742,033
Uses Treatment of obesity in companion animals (dogs) (gut microsomal triglyceride transport protein (gMTP) inhibitor) .

Technology Process of Dirlotapide

There total 5 articles about Dirlotapide 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: 95.0%

: 481659-95-4
C₂₄H₁₇F₃N₂O₃

: 171856-35-2
(S)-2-amino-N-benzyl-N-methyl-2-phenyl-acetamide

: 481658-94-0
Dirlotapide

Guidance literature:: With N-ethyl-N,N-diisopropylamine; bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate; In dichloromethane; at 20 ℃;
DOI:10.1016/j.bmcl.2007.01.018

Reference yield:

: 481659-93-2
ethyl 1-methyl-5-[4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamido]-1H-indole-2-carboxylate

: 481658-94-0
Dirlotapide

Guidance literature:: Multi-step reaction with 2 steps

1: 98 percent / LiOH / tetrahydrofuran; H₂O / 4 h / Heating

2: 95 percent / PyBroP; DIPEA / CH₂Cl₂ / 20 °C

With lithium hydroxide; N-ethyl-N,N-diisopropylamine; bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate; In tetrahydrofuran; dichloromethane; water;
DOI:10.1016/j.bmcl.2007.01.018

Reference yield:

: 71056-58-1
5-amino-1-methyl-1H-indole-2-carboxylic acid ethyl ester

: 481658-94-0
Dirlotapide

Guidance literature:: Multi-step reaction with 3 steps

1: 85 percent / EDC; HOBT; DIPEA / CH₂Cl₂ / 20 °C

2: 98 percent / LiOH / tetrahydrofuran; H₂O / 4 h / Heating

3: 95 percent / PyBroP; DIPEA / CH₂Cl₂ / 20 °C

With lithium hydroxide; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; N-ethyl-N,N-diisopropylamine; bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate; In tetrahydrofuran; dichloromethane; water;
DOI:10.1016/j.bmcl.2007.01.018