Sunitinib metabolite M3

Base Information

Chemical Name:Sunitinib metabolite M3
CAS No.:873077-70-4
Molecular Formula:C₁₈H₁₉FN₄O₂
Molecular Weight:342.373
Hs Code.:
UNII:FH2DP6X8LW
ChEMBL ID:CHEMBL3542333
Mol file:873077-70-4.mol

Synonyms:Sunitinib metabolite M3;FH2DP6X8LW;UNII-FH2DP6X8LW;SU-014335;CHEMBL3542333;1H-Pyrrole-3-carboxamide, N-(2-aminoethyl)-5-((Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl)-2,4-dimethyl-;N-(2-Aminoethyl)-5-((Z)-(5-fluoro-2-oxo-indolin-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;SCHEMBL2116298;BDBM50564445

Suppliers and Price of Sunitinib metabolite M3

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

American Custom Chemicals Corporation
N,N-DIDESETHYL SUNITINIB 95.00%
1MG
$ 757.97

American Custom Chemicals Corporation
N,N-DIDESETHYL SUNITINIB 95.00%
10MG
$ 2243.59

Biosynth Carbosynth
N,N-Didesethyl sunitinib hydrochloride
2 mg
$ 578.10

Biosynth Carbosynth
N,N-Didesethyl sunitinib hydrochloride
5 mg
$ 1051.10

Biosynth Carbosynth
N,N-Didesethyl sunitinib hydrochloride
10 mg
$ 1911.00

Biosynth Carbosynth
N,N-Didesethyl sunitinib hydrochloride
1 mg
$ 318.00

Usbiological
N,N-Didesethyl Sunitinib Hydrochloride
1mg
$ 496.00

Total 3 raw suppliers

Chemical Property of Sunitinib metabolite M3

Chemical Property:

Melting Point:>300oC (dec.)
PSA：100.01000
LogP:3.98300
Storage Temp.:-20°C Freezer
XLogP3:0.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:342.14920402
Heavy Atom Count:25
Complexity:567

Purity/Quality:

97% ^*data from raw suppliers

N,N-DIDESETHYL SUNITINIB 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(NC(=C1C(=O)NCCN)C)C=C2C3=C(C=CC(=C3)F)NC2=O
Isomeric SMILES:CC1=C(NC(=C1C(=O)NCCN)C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O
Uses A metabolite of Sunitinib

Technology Process of Sunitinib metabolite M3

There total 6 articles about Sunitinib metabolite M3 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: 60.0%

: 1227960-76-0
tert-butyl (Z)-(2-(5-((5-fluoro-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxamido)ethyl)carbamate

: 873077-70-4
(Z)-N-(2-aminoethyl)-5-((5-fluoro-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide

Guidance literature:: With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 18h;
DOI:10.1016/j.ejmech.2020.112316

Reference yield:

: 56341-41-4
5-fluoroindol-2(3H)-one

: 873077-70-4
(Z)-N-(2-aminoethyl)-5-((5-fluoro-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide

Guidance literature:: Multi-step reaction with 4 steps

1: pyrrolidine / ethanol / 3 h / Reflux

2: thionyl chloride; N,N-dimethyl-formamide / toluene / 4 h / Reflux

3: tetrahydrofuran / 1 h / 20 - 50 °C

4: trifluoroacetic acid / dichloromethane / 18 h / 20 °C

With pyrrolidine; thionyl chloride; N,N-dimethyl-formamide; trifluoroacetic acid; In tetrahydrofuran; ethanol; dichloromethane; toluene;
DOI:10.1016/j.ejmech.2020.112316

Reference yield:

: 356068-93-4
5-((Z)-(5-fluoro-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid

: 873077-70-4
(Z)-N-(2-aminoethyl)-5-((5-fluoro-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide

Guidance literature:: Multi-step reaction with 3 steps

1: thionyl chloride; N,N-dimethyl-formamide / toluene / 4 h / Reflux

2: tetrahydrofuran / 1 h / 20 - 50 °C

3: trifluoroacetic acid / dichloromethane / 18 h / 20 °C

With thionyl chloride; N,N-dimethyl-formamide; trifluoroacetic acid; In tetrahydrofuran; dichloromethane; toluene;
DOI:10.1016/j.ejmech.2020.112316