(3R)-5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-1-methyl-3H-1,4-benzodiazepin-2-one

Base Information

Chemical Name:(3R)-5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-1-methyl-3H-1,4-benzodiazepin-2-one
CAS No.:103342-82-1
Molecular Formula:C25H20 F N3 O
Molecular Weight:397.452
Hs Code.:
DSSTox Substance ID:DTXSID90349652
Nikkaji Number:J984.982C
Wikidata:Q27088559
Pharos Ligand ID:94W132MC6ZYF
Metabolomics Workbench ID:70007
ChEMBL ID:CHEMBL1907717
Mol file:103342-82-1.mol

Synonyms:(3-R)-1,3-dihydro-5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-1-methyl-2H-1,4-benzodiazepin-2-one;L 364373;L-364,373;L364373

Suppliers and Price of (3R)-5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-1-methyl-3H-1,4-benzodiazepin-2-one

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
L-364,373
10mg
$ 480.00

TRC
L-364,373
1mg
$ 115.00

Tocris
L-364,373 ≥98%(HPLC)
10
$ 231.00

Tocris
L-364,373 ≥98%(HPLC)
50
$ 943.00

ApexBio Technology
L-364,373
50mg
$ 1385.00

ApexBio Technology
L-364,373
10mg
$ 339.00

Total 4 raw suppliers

Chemical Property of (3R)-5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-1-methyl-3H-1,4-benzodiazepin-2-one

Chemical Property:

PSA：48.46000
LogP:4.23270
Storage Temp.:Store at +4°C
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:397.15904043
Heavy Atom Count:30
Complexity:667

Purity/Quality:

≥98% by HPLC ^*data from raw suppliers

L-364,373 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C2=CC=CC=C2C(=NC(C1=O)CC3=CNC4=CC=CC=C43)C5=CC=CC=C5F
Isomeric SMILES:CN1C2=CC=CC=C2C(=N[C@@H](C1=O)CC3=CNC4=CC=CC=C43)C5=CC=CC=C5F
Uses L-364,373 is a KCNQ1/mink channels activator.

Technology Process of (3R)-5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-1-methyl-3H-1,4-benzodiazepin-2-one

There total 2 articles about (3R)-5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-1-methyl-3H-1,4-benzodiazepin-2-one 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:

: 102671-70-5
(R)-5-(2-fluorophenyl)-1,3-dihydro-3-(1H-indol-3-ylmethyl)-2H-1,4-benzodiazepin-2-one

: 74-88-4
methyl iodide

: 103342-82-1
L-364373

: 103342-81-0
(R)-5-(2-fluorophenyl)-1,3-dihydro-1-methyl-3-((1-methyl-1H-indol-3-yl)methyl)-2H-1,4-benzodiazepin-2-one

Guidance literature:: With sodium hydride; Yield given. Multistep reaction. Yields of byproduct given; 1.) DMF, 0 deg C, 40 min, 2.) DMF, from 0 deg C to RT, 20 min;
DOI:10.1021/jm00390a019

Reference yield:

: 103342-82-1
L-364373

Guidance literature:

Reference yield:

: 103342-82-1
L-364373

: (R)-5-(2-Fluoro-phenyl)-1-methyl-3-(1-methyl-1H-indol-3-ylmethyl)-1,3,4,5-tetrahydro-benzo[e][1,4]diazepin-2-one

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) NaH / 1.) DMF, 0 deg C, 40 min, 2.) DMF, from 0 deg C to RT, 20 min

2: NaCNBH₃, acetic acid / 0.25 h / 10 °C

With sodium hydride; sodium cyanoborohydride; acetic acid;
DOI:10.1021/jm00390a019