NMS-P118

Base Information

Chemical Name:NMS-P118
CAS No.:1262417-51-5
Molecular Formula:C20H24F3N3O2
Molecular Weight:395.42
Hs Code.:
Mol file:1262417-51-5.mol

Synonyms:NMS-P118;2-[1-(4,4-Difluorocyclohexyl)-4-piperidinyl]-6-fluoro-2,3-dihydro-3-oxo-1H-isoindole-4-carboxamide

Suppliers and Price of NMS-P118

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

TRC
2-[1-(4,4-Difluorocyclohexyl)-4-piperidinyl]-6-fluoro-2,3-dihydro-3-oxo-1H-isoindole-4-carboxamide
5mg
$ 450.00

DC Chemicals
NMS-P118 >98%
1 g
$ 2400.00

DC Chemicals
NMS-P118 >98%
250 mg
$ 1200.00

ChemScene
NMS-P118 99.80%
10mg
$ 252.00

ChemScene
NMS-P118 99.80%
2mg
$ 84.00

ChemScene
NMS-P118 99.80%
5mg
$ 144.00

ChemScene
NMS-P118 99.80%
50mg
$ 972.00

Cayman Chemical
NMS-P118 ≥98%
25mg
$ 508.00

Cayman Chemical
NMS-P118 ≥98%
5mg
$ 131.00

Cayman Chemical
NMS-P118 ≥98%
1mg
$ 29.00

Total 11 raw suppliers

Chemical Property of NMS-P118

Chemical Property:

PSA：66.64000
LogP:3.49880

Purity/Quality:

99%, ^*data from raw suppliers

2-[1-(4,4-Difluorocyclohexyl)-4-piperidinyl]-6-fluoro-2,3-dihydro-3-oxo-1H-isoindole-4-carboxamide ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Uses 2-[1-(4,4-Difluorocyclohexyl)-4-piperidinyl]-6-fluoro-2,3-dihydro-3-oxo-1H-isoindole-4-carboxamide is a nuclear protein poly(ADP-ribose) polymerase-1 (PARP-1) inhibitor. PARP-1 is involved with the signaling and repair of DNA and a target in oncology.

Technology Process of NMS-P118

There total 6 articles about NMS-P118 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: 67.0%

: 1262418-04-1
2-[1-(4,4-difluorocyclohexyl)piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1H-isoindole-4-carbonitrile

: 1262417-51-5
2-[1-(4,4-difluorocyclohexyl)-piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide

Guidance literature:: With sulfuric acid; acetic acid; at 80 ℃; Product distribution / selectivity;

Reference yield:

: 321-21-1
4-fluoro-2-methylbenzoic acid

: 1262417-51-5
2-[1-(4,4-difluorocyclohexyl)-piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide

Guidance literature:: Multi-step reaction with 6 steps

1.1: [bis(acetoxy)iodo]benzene; iodine; palladium diacetate / N,N-dimethyl-formamide / 18 h / 100 °C / Inert atmosphere

2.1: potassium carbonate / N,N-dimethyl-formamide / 0.25 h / 20 °C

2.2: 2 h / 20 °C

3.1: Methyl pivalate; N-Bromosuccinimide; dibenzoyl peroxide / 3 h / 85 °C / Inert atmosphere

4.1: triethylamine / acetonitrile / 4 h / 90 °C / Inert atmosphere

5.1: N,N-dimethyl-formamide / 3 h / 110 °C / Inert atmosphere

6.1: indium(III) chloride; Acetaldehyde oxime / toluene / 1 h / Reflux

With indium(III) chloride; N-Bromosuccinimide; Acetaldehyde oxime; Methyl pivalate; [bis(acetoxy)iodo]benzene; iodine; palladium diacetate; potassium carbonate; triethylamine; dibenzoyl peroxide; In N,N-dimethyl-formamide; toluene; acetonitrile; 5.1: |Rosenmund-van Braun Cyanation;
DOI:10.1021/acs.jmedchem.5b00680

Reference yield:

: 877151-07-0
4-fluoro-2-iodo-6-methyl-benzoic acid methyl ester

: 1262417-51-5
2-[1-(4,4-difluorocyclohexyl)-piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide

Guidance literature:: Multi-step reaction with 4 steps

1: Methyl pivalate; N-Bromosuccinimide; dibenzoyl peroxide / 3 h / 85 °C / Inert atmosphere

2: triethylamine / acetonitrile / 4 h / 90 °C / Inert atmosphere

3: N,N-dimethyl-formamide / 3 h / 110 °C / Inert atmosphere

4: indium(III) chloride; Acetaldehyde oxime / toluene / 1 h / Reflux

With indium(III) chloride; N-Bromosuccinimide; Acetaldehyde oxime; Methyl pivalate; triethylamine; dibenzoyl peroxide; In N,N-dimethyl-formamide; toluene; acetonitrile; 3: |Rosenmund-van Braun Cyanation;
DOI:10.1021/acs.jmedchem.5b00680