6-Methyl-3-((2E)-2-(1-(pyridin-2-yl)ethylidene)hydrazinyl)-5H-(1,2,4)triazino(5,6-b)indole

Base Information

Chemical Name:6-Methyl-3-((2E)-2-(1-(pyridin-2-yl)ethylidene)hydrazinyl)-5H-(1,2,4)triazino(5,6-b)indole
CAS No.:327031-55-0
Molecular Formula:C₁₇H₁₅N₇
Molecular Weight:317.353
Hs Code.:
European Community (EC) Number:816-332-1
UNII:YZO6DG19MG
NCI Thesaurus Code:C118283
ChEMBL ID:CHEMBL4788406

Synonyms:VLX600

Suppliers and Price of 6-Methyl-3-((2E)-2-(1-(pyridin-2-yl)ethylidene)hydrazinyl)-5H-(1,2,4)triazino(5,6-b)indole

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
VLX600
1mg
$ 45.00

DC Chemicals
VLX600
1g
$ 1800.00

DC Chemicals
VLX600
100 mg
$ 450.00

DC Chemicals
VLX600
250 mg
$ 900.00

ChemScene
VLX600 99.35%
50mg
$ 320.00

ChemScene
VLX600 99.35%
25mg
$ 190.00

ChemScene
VLX600 99.35%
10mg
$ 90.00

ChemScene
VLX600 99.35%
5mg
$ 55.00

ChemScene
VLX600 99.35%
100mg
$ 550.00

ChemScene
VLX600 99.35%
250mg
$ 1100.00

Total 4 raw suppliers

Chemical Property of 6-Methyl-3-((2E)-2-(1-(pyridin-2-yl)ethylidene)hydrazinyl)-5H-(1,2,4)triazino(5,6-b)indole

Chemical Property:

Boiling Point:590.9±58.0 °C(Predicted)
Density:1.42±0.1 g/cm3(Predicted)
XLogP3:2.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:317.13889351
Heavy Atom Count:24
Complexity:468

Purity/Quality:

99%, ^*data from raw suppliers

VLX600 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=C2C(=CC=C1)C3=C(N2)N=C(N=N3)NN=C(C)C4=CC=CC=N4
Isomeric SMILES:CC1=C2C(=CC=C1)C3=C(N2)N=C(N=N3)N/N=C(\C)/C4=CC=CC=N4
Recent ClinicalTrials:Study of Safety and Tolerability of VLX600, an Iron Chelator, in Patients With Refractory Advanced Solid Tumors
Description VLX600 is a compound that shows selective cytotoxicity against quiescent cancer cells (IC50 = 1-10 μM) with selectivity for malignant cells. It induces necrosis in non-proliferating quiescent core cells in multicellular spheroids (MCs) formed from HCT116 colon cancer cells. VLX600 induces the expression of genes associated with hypoxia, glycolysis, and p53 signaling, stimulates autophagy, and triggers mitochondrial dysfunction in MCs. It displays antitumor activity against colon cancer xenografts with minimal systemic toxicity in mice.
Uses VLX600 is a compound showing cytotoxicity against cancer cells. Selective towards malignant cells and necrosis inductor in colon cancer cells.

Technology Process of 6-Methyl-3-((2E)-2-(1-(pyridin-2-yl)ethylidene)hydrazinyl)-5H-(1,2,4)triazino(5,6-b)indole

There total 3 articles about 6-Methyl-3-((2E)-2-(1-(pyridin-2-yl)ethylidene)hydrazinyl)-5H-(1,2,4)triazino(5,6-b)indole 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:

: 1122-62-9
2-acetylpyridine

: 3-hydrazinyl-6-methyl-5H-[1,2,4]triazino[5,6-b]indole

: 327031-55-0
2-[1-(2-{6-methyl-5H-[1,2,4]triazino[5,6-b]indole-3-yl}hydrazine-1-ylidene)ethyl]pyridine

Guidance literature:: With acetic acid; In water; at 48.5 ℃; for 3h; Large scale;

Reference yield:

: 1127-59-9
7-methyl-1H-indole-2,3-dione

: 327031-55-0
2-[1-(2-{6-methyl-5H-[1,2,4]triazino[5,6-b]indole-3-yl}hydrazine-1-ylidene)ethyl]pyridine

Guidance literature:: Multi-step reaction with 3 steps

1: potassium carbonate / 3 h / Reflux; Large scale

2: hydrazine hydrate / 18 h / 89 °C / Large scale

3: acetic acid / water / 3 h / 48.5 °C / Large scale

With potassium carbonate; hydrazine hydrate; acetic acid; In water;

Reference yield:

: 83515-26-8
6-Methyl-5H-2,3-dihydro<1,2,4>triazino<5,6-b>indole-3-thione

: 327031-55-0
2-[1-(2-{6-methyl-5H-[1,2,4]triazino[5,6-b]indole-3-yl}hydrazine-1-ylidene)ethyl]pyridine

Guidance literature:: Multi-step reaction with 2 steps

1: hydrazine hydrate / 18 h / 89 °C / Large scale

2: acetic acid / water / 3 h / 48.5 °C / Large scale

With hydrazine hydrate; acetic acid; In water;