(2,4,6-Trichloro-phenoxy)-acetic acid (1H-pyrrol-2-ylmethylene)-hydrazide

Base Information

• Chemical Name: (2,4,6-Trichloro-phenoxy)-acetic acid (1H-pyrrol-2-ylmethylene)-hydrazide
• CAS No.: 1378872-36-6
• Molecular Formula: C13H10Cl3N3O2
• Molecular Weight: 346.6
• Mol file: 1378872-36-6.mol

Synonyms:(2,4,6-Trichloro-phenoxy)-acetic acid (1H-pyrrol-2-ylmethylene)-hydrazide;ML239

Chemical Property of (2,4,6-Trichloro-phenoxy)-acetic acid (1H-pyrrol-2-ylmethylene)-hydrazide

Chemical Property:

• PKA: 11.95±0.46(Predicted)
• PSA: 69.97000
• Density: 1.50±0.1 g/cm3(Predicted)
• LogP: 4.34430
• Storage Temp.: 2-8°C
• Solubility.: DMSO: soluble15mg/mL (clear solution)

Purity/Quality:

99%+, ^*data from raw suppliers

ML-239 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26

MSDS Files:

Useful:

• Description: ML-239 is an inhibitor of cancer stem cells, displaying greater than 23-fold selective inhibition of a breast cancer stem cell-like cell line (EC50 = 1.18 μM) over an isogenic control cell line (EC50 = 27.6 μM). It is also toxic to the breast carcinoma cell line MDA-MB-231. ML-239 alters the expression of genes in the MAPK, NF-κB, and inflammatory cytokine pathways. It is stable in saline and modestly stable in human plasma.
• Uses: ML-239, is an inhibitor of breast cancer stem cells, with greater than 23 fold selectivity of inhibition in the cell line.

Technology Process of (2,4,6-Trichloro-phenoxy)-acetic acid (1H-pyrrol-2-ylmethylene)-hydrazide

There total 1 articles about (2,4,6-Trichloro-phenoxy)-acetic acid (1H-pyrrol-2-ylmethylene)-hydrazide 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: 65.0%

2-pyrrole aldehyde (1003-29-8,254729-95-8) + 2-(2,4,6-trichlorophenoxy)acetic acid hydrazide (190588-40-0) → (E)-N'-((1H-pyrrol-2-yl)methylene)-2-(2,4,6-trichlorophenoxy)acetohydrazide (1378872-36-6)

Guidance literature:

With magnesium sulfate; In ethanol; at 40 ℃; for 8h;

DOI:10.1016/j.bmcl.2012.01.035

upstream raw materials:

2-pyrrole aldehyde

2-(2,4,6-trichlorophenoxy)acetic acid hydrazide

Refernces

• 1、 Germain, Andrew R.,Carmody, Leigh C.,Morgan, Barbara,Fernandez, Cristina,Forbeck, Erin,Lewis, Timothy A.,Nag, Partha P.,Ting, Amal,Verplank, Lynn,Feng, Yuxiong,Perez, Jose R.,Dandapani, Sivaraman,Palmer, Michelle,Lander, Eric S.,Gupta, Piyush B.,Schreiber, Stuart L.,Munoz, Benito. "Identification of a selective small molecule inhibitor of breast cancer stem cells". supporting information; experimental part. p. 3571 - 3574. Retrieved 2012/07/03.