5-(1H-Indol-3-ylmethyl)-2-thioxo-4-imidazolidinone

Base Information

Chemical Name:5-(1H-Indol-3-ylmethyl)-2-thioxo-4-imidazolidinone
CAS No.:64419-92-7
Molecular Formula:C12H11N3OS
Molecular Weight:245.30000
Hs Code.:
DSSTox Substance ID:DTXSID10418692
Pharos Ligand ID:41LMS3CSN9AR
ChEMBL ID:CHEMBL366011
Mol file:64419-92-7.mol

Synonyms:64419-92-7;Nec-1i;Necrostatin-1, Inactive Control;5-(1H-Indol-3-ylmethyl)-2-thioxo-4-imidazolidinone;5-((1H-Indol-3-yl)methyl)-2-thioxoimidazolidin-4-one;5-(Indol-3-ylmethyl)-2-thiohydantoin;5-(1H-indol-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one;CHEMBL366011;5-(1H-indol-3-ylmethyl)-2-thiohydantoin;SCHEMBL838583;DTXSID10418692;BDBM50519639;MFCD24369002;5-(Indole-3-yl)methyl-2-thioxo-imidazolidin-4-one;5-(1H-Indol-3-ylmethyl)-2-thioxo-imidazolidin-4-one;5-(1H-Indol-3-ylmethyl)-2-thioxo-4-imidazolidinone #

Suppliers and Price of 5-(1H-Indol-3-ylmethyl)-2-thioxo-4-imidazolidinone

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

Sigma-Aldrich
Necrostatin-1, Inactive Control - CAS 64419-92-7 - Calbiochem
5mg
$ 119.32

Cayman Chemical
Necrostatin-1, Inactive Control ≥98%
50 mg
$ 876.00

Cayman Chemical
Necrostatin-1, Inactive Control ≥98%
10mg
$ 191.00

Cayman Chemical
Necrostatin-1, Inactive Control ≥98%
1mg
$ 30.00

Cayman Chemical
Necrostatin-1, Inactive Control ≥98%
5mg
$ 103.00

Alfa Aesar
Necrostatin-1, Inactive Control
5mg
$ 97.00

AK Scientific
5-(1H-Indol-3-ylmethyl)-2-thioxo-4-imidazolidinone
10mg
$ 320.00

Total 5 raw suppliers

Chemical Property of 5-(1H-Indol-3-ylmethyl)-2-thioxo-4-imidazolidinone

Chemical Property:

PSA：99.54000
LogP:1.20610
Storage Temp.:+2C to +8C
Sensitive.:Light Sensitive
Solubility.:Soluble in DMSO or methanol
XLogP3:1.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:245.06228316
Heavy Atom Count:17
Complexity:347

Purity/Quality:

≥98% ^*data from raw suppliers

Necrostatin-1, Inactive Control - CAS 64419-92-7 - Calbiochem ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C(=CN2)CC3C(=O)NC(=S)N3
Uses Necrostatin-1 Inactive Control is a cell permeable thiohydantoin analog of Nec-1. It can be used as necroptosis inhibitor.

Technology Process of 5-(1H-Indol-3-ylmethyl)-2-thioxo-4-imidazolidinone

There total 5 articles about 5-(1H-Indol-3-ylmethyl)-2-thioxo-4-imidazolidinone 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: 34.0%

: 2290-65-5
trimethylsilyl isothiocyanate

: 7524-52-9,26988-71-6,5619-09-0,14907-27-8,41222-70-2,67557-19-1,109492-62-8
(S)-tryptophan methyl ester hydrochloride

: 64419-92-7
tryptophan 2-thiohydantoin

Guidance literature:: With dmap; N-ethyl-N,N-diisopropylamine; In AcOH; dichloromethane;

Reference yield:

: 2290-65-5
trimethylsilyl isothiocyanate

: 7303-49-3
DL-tryptophan methyl ester

: 64419-92-7
tryptophan 2-thiohydantoin

Guidance literature:: trimethylsilyl isothiocyanate; DL-tryptophan methyl ester; With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 24h;

With acetic acid; at 110 ℃; for 5h;
DOI:10.1016/j.bmcl.2005.07.077