Necrostatin-7

Base Information

Chemical Name:Necrostatin-7
CAS No.:351062-08-3
Molecular Formula:C16H10FN5OS2
Molecular Weight:371.419
Hs Code.:
European Community (EC) Number:689-430-3
DSSTox Substance ID:DTXSID40361283
Wikidata:Q72493928
ChEMBL ID:CHEMBL514242
Mol file:351062-08-3.mol

Synonyms:necrostatin-7

Suppliers and Price of Necrostatin-7

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
Necrostatin-7
5mg
$ 356.00

Usbiological
Necrostatin-7
5mg
$ 316.00

Sigma-Aldrich
Necrostatin-7 ≥98% (HPLC), powder
5mg
$ 125.00

Cayman Chemical
Necrostatin-7 ≥98%
5mg
$ 85.00

Cayman Chemical
Necrostatin-7 ≥98%
25mg
$ 298.00

AK Scientific
Necrostatin-7
5mg
$ 214.00

Adipogen Life Sciences
Necrostatin-7 ≥98%(NMR)
5 mg
$ 80.00

Total 5 raw suppliers

Chemical Property of Necrostatin-7

Chemical Property:

Boiling Point:613.4±65.0 °C(Predicted)
PKA:11.56±0.50(Predicted)
PSA：139.27000
Density:1.63±0.1 g/cm3(Predicted)
LogP:3.89270
Storage Temp.:2-8°C
Solubility.:DMSO: >10mg/mL (with warming)
XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:371.03108047
Heavy Atom Count:25
Complexity:581

Purity/Quality:

97% ^*data from raw suppliers

Necrostatin-7 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xn
Statements: 22

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C2=C(C=NN2)C=C3C(=O)N(C(=N)S3)C4=NC=CS4)F
Isomeric SMILES:C1=CC(=CC=C1C2=C(C=NN2)/C=C\3/C(=O)N(C(=N)S3)C4=NC=CS4)F

Technology Process of Necrostatin-7

There total 4 articles about Necrostatin-7 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: 91.0%

: 306936-57-2
3-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde

: 309727-45-5
C₆H₅N₃OS₂

: 351062-08-3
5-[[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylene]-2-imino-3-(2-thiazolyl)-4-thiazolidinone

Guidance literature:: With sodium acetate; In acetic acid; Reflux;
DOI:10.1016/j.bmcl.2008.08.058

Reference yield:

: 5448-49-7
2-chloro-N-(1,3-thiazol-2-yl)acetamide

: 351062-08-3
5-[[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylene]-2-imino-3-(2-thiazolyl)-4-thiazolidinone

Guidance literature:: Multi-step reaction with 2 steps

1: ethanol / 8 h / Reflux

2: sodium acetate; acetic acid / 14 h / 110 °C

With sodium acetate; acetic acid; In ethanol; 2: Knoevenagel Condensation;

Reference yield:

: 403-42-9
1-(4-fluorophenyl)ethanone

: 351062-08-3
5-[[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylene]-2-imino-3-(2-thiazolyl)-4-thiazolidinone

Guidance literature:: Multi-step reaction with 3 steps

1.1: sodium acetate / methanol; water / 20 °C

2.1: N,N-dimethyl-formamide; trichlorophosphate / 4 h / 0 - 70 °C

2.2: 0.08 h / 60 °C / Cooling

3.1: sodium acetate; acetic acid / 14 h / 110 °C

With sodium acetate; acetic acid; N,N-dimethyl-formamide; trichlorophosphate; In methanol; water; 3.1: Knoevenagel Condensation;