1-(2-fluorophenyl)-3-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]urea

Base Information

Chemical Name:1-(2-fluorophenyl)-3-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]urea
CAS No.:676128-63-5
Molecular Formula:C₂₂H₁₇FN₄O₂
Molecular Weight:388.401
Hs Code.:
UNII:6NF9HI6D98
DSSTox Substance ID:DTXSID101125220
Metabolomics Workbench ID:155335
ChEMBL ID:CHEMBL223402
Mol file:676128-63-5.mol

Synonyms:1-(2-fluorophenyl)-3-(2-oxo-5-phenyl-2,3-dihydro-1H-benzo(e)(1,4)diazepin-3-yl)urea;RSV 604;RSV-604;RSV604

Suppliers and Price of 1-(2-fluorophenyl)-3-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]urea

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
RSV-604 >98%
250 mg
$ 1300.00

Crysdot
RSV604 98+%
5mg
$ 243.00

Crysdot
RSV604 98+%
10mg
$ 416.00

Crysdot
RSV604 98+%
100mg
$ 1736.00

Crysdot
RSV604 98+%
50mg
$ 1250.00

ChemScene
RSV604 99.96%
100mg
$ 950.00

ChemScene
RSV604 99.96%
50mg
$ 520.00

ChemScene
RSV604 99.96%
5mg
$ 70.00

ChemScene
RSV604 99.96%
10mg
$ 120.00

Cayman Chemical
RSV-604
5mg
$ 89.00

Total 13 raw suppliers

Chemical Property of 1-(2-fluorophenyl)-3-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]urea

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:388.13355396
Heavy Atom Count:29
Complexity:634

Purity/Quality:

99%, ^*data from raw suppliers

RSV-604 >98% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C=C1)C2=NC(C(=O)NC3=CC=CC=C32)NC(=O)NC4=CC=CC=C4F
Isomeric SMILES:C1=CC=C(C=C1)C2=N[C@@H](C(=O)NC3=CC=CC=C32)NC(=O)NC4=CC=CC=C4F
Recent ClinicalTrials:Safety, Tolerability and Pharmacokinetic Study of Single and Multiple Intravenous Doses of RSV604 in Healthy Subjects.
Recent EU Clinical Trials:A randomized, double-blind, placebo-controlled study to assess the safety, tolerability, and efficacy of oral RSV604 in healthy adults experimentally infected with respiratory syncytial virus

Technology Process of 1-(2-fluorophenyl)-3-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]urea

There total 6 articles about 1-(2-fluorophenyl)-3-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]urea 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: 73.0%

: 16744-98-2
1-Fluoro-2-isocyanato-benzene

: 253135-95-4
(S)-3-amino-5-phenyl-1,3-dihydro-2H-benzo[e][1,4]diazepin-2(3H)one

: 676128-63-5,676128-62-4,932108-20-8
(S)-1-(2-fluorophenyl)-3-(2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)urea

Guidance literature:: With triethylamine; In tetrahydrofuran; at 20 ℃; for 18h;
DOI:10.1021/jm060747l

Reference yield:

: 676127-93-8
(S,S)-N-(2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-phenyl-2-(3-phenylthioureido)propionamide

: 676128-63-5,676128-62-4,932108-20-8
(S)-1-(2-fluorophenyl)-3-(2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)urea

Guidance literature:: Multi-step reaction with 2 steps

1: 380 mg / trifluoroacetic acid / 0.67 h / 50 °C

2: 73 percent / triethylamine / tetrahydrofuran / 18 h / 20 °C

With triethylamine; trifluoroacetic acid; In tetrahydrofuran;
DOI:10.1021/jm060747l

Reference yield:

: 207600-12-2
[1-(2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-ylcarbamoyl)-2-phenylethyl] carbamic acid tert-butyl ester

: 676128-63-5,676128-62-4,932108-20-8
(S)-1-(2-fluorophenyl)-3-(2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)urea

Guidance literature:: Multi-step reaction with 4 steps

1: 26.1 g / hydrochloric acid / ethyl acetate / 3 h / -10 - 20 °C

2: 99 percent / CH₂Cl₂ / 18 h / 20 °C

3: 380 mg / trifluoroacetic acid / 0.67 h / 50 °C

4: 73 percent / triethylamine / tetrahydrofuran / 18 h / 20 °C

With hydrogenchloride; triethylamine; trifluoroacetic acid; In tetrahydrofuran; dichloromethane; ethyl acetate;
DOI:10.1021/jm060747l