1421227-52-2

1421227-52-2 - Names and Identifiers

Name	N-(6-(4-(3-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)ureido)phenoxy)pyrimidin-4-yl)cyclopropanecarboxamide
Synonyms	WS3 WS-3 WS 3 CS-1800 WS3, 1421227-52-2 N-(6-(4-(3-(4-((4-METHYLPIPERAZIN-1-YL)METHYL)-3-(TRIFLUOROMETHYL)PHENYL)UREIDO)PHENOXY)PYRIMIDIN-4-YL)CYCLOPROPANECARBOXAMIDE N-(6-(4-(3-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)ureido)phenoxy)pyrimidin-4-yl)cyclopropanecarboxamide N-[6-[4-[[[[4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenoxy]-4-pyrimidinyl]-cyclopropanecarboxamide N-[6-[4-[[[[4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenoxy]-4-pyrimidinyl]-cyclopropanecarboxamide WS3 WS3 N-(6-(4-(3-(4-((4-METHYLPIPERAZIN-1-YL)METHYL)-3-(TRIFLUOROMETHYL)PHENYL)UREIDO)PHENOXY)PYRIMIDIN-4-YL)CYCLOPROPANECARBOXAMIDE
CAS	1421227-52-2

1421227-52-2 - Physico-chemical Properties

Molecular Formula	C28H30F3N7O3
Molar Mass	569.58
Density	1.423±0.06 g/cm3(Predicted)
Boling Point	632.9±55.0 °C(Predicted)
Solubility	DMSO: 2 mg/mL mother liquor preservation: sub-package and freeze storage to avoid repeated freezing and thawing;-20 ℃,1 month;-80 ℃,6 months (after dilution, the solution temperature is low and storage may precipitate, try to use it now) Cell experiment: Dissolve with DMSO first: dilute with culture medium then, and the dilution process is recommended to be carried out in stages to avoid too fast concentration change leading to compound precipitation. If the compound is precipitated during the dilution process, it can be redissolved by ultrasound. During dilution, ensure that the final concentration of DMSO in the working fluid should be below 0.1% as far as possible, and the maximum should not exceed 0.5%, and set up a DMSO control group with corresponding concentration. Animal experiment: Dissolve with DMSO first: dilute with water or normal saline, etc. The dilution process is recommended to be carried out in sections to avoid excessive concentration changes leading to compound pre
Appearance	powder
Color	white to beige
pKa	11.82±0.20(Predicted)
Storage Condition	Sealed in dry,2-8°C
Use	WS3 is a non-specific proliferative molecule that modulates the activity of Erb3 binding protein-1 and the IκB kinase pathway.
Target	ErbB3-Binding Protein-1 (EBP1) ；IκB kinase
In vitro study	WS3 induces pancreatic R7T1 β cell proliferation in dose response, with an EC 50 value of 0.28 μM.WS3 (1.0 nM-1.0 µM) reversibly proliferate primary retinal pigment epithelial (RPE) cells isolated from fetal and adult human donors. Following withdrawal of WS3, RPE cells differentiate into a functional monolayer, as exhibited by their expression of mature RPE genes and phagocytosis of photoreceptor outer segments.

1421227-52-2 - Risk and Safety

WGK Germany

1421227-52-2 - Reference

Reference

1. Shen W, et al. Small-molecule inducer of β cell proliferation identified by high-throughput screening. J Am Chem Soc. 2013 Feb 6;135(5):1669-72.2. Jonathan G Swoboda, et al. Small molecule mediated proliferation of primary retinal pigment epithelial cells. ACS Chem Biol. 2013 Jul 19;8(7):1407-11.

1421227-52-2 - Preparation solution concentration reference

	1mg	5mg	10mg
1 mM	1.756 ml	8.778 ml	17.557 ml
5 mM	0.351 ml	1.756 ml	3.511 ml
10 mM	0.176 ml	0.878 ml	1.756 ml
5 mM	0.035 ml	0.176 ml	0.351 ml

Last Update：2024-01-02 23:10:35

1421227-52-2 - Cell Experiment

R7T1 cells are growth-arrested by removal of doxycycline for 2 days and plated into 384-well plates at a density of 3,000 cells/well in growth medium. Β cell proliferation is assessed using CellTiter Glo after 4 days. Fold increase in cell number is calculated by normalizing compound-treated wells to the median of DMSO-treated wells. (Only for Reference) Cell lines: R7T1 cells

Last Update：2023-08-16 21:32:38

1421227-52-2 - Introduction

N-(6-(4-(3-(4-(4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)ureido)phenoxy)pyrimidin-4-yl) cyclopropenecarboxamide, the full name is mixed isopropyl propylene alcohol compound -3, which is a chemical substance used for flavoring. The following is a pyrimidin-4-yl about N-(6-(4-(3-(4-(4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)ureido) phenyl) introduction to the properties, uses, formulation and safety information of cyclopropanecarboxamide:

Nature:
- N-(6-(4-(3-(4-(4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)ureido)phenoxy)pyrimidin-4-yl) the chemical name of cyclopropecarboxamide is 12-ethoxy -4,7, 9-trimethyl-1, 10-dioxopentyl-12h-cyclooct-1-one.
-The appearance is a white crystalline powder with a cool taste.
-Solid at room temperature, soluble in alcohol and ether.

Preparation Method:
- N-(6-(4-(3-(4-(4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)ureido)phenoxy)pyrimidin-4-yl) the preparation of cyclopropecarboxamide is usually obtained by synthetic chemical methods.
-It can be obtained from the reaction of isobutyl acrylate and isopropanol.

Security information:
-WS3 is safe for human health at the recommended dosage.
-However, as a chemical substance, corresponding safety operations and dosage restrictions should still be followed when using it.
-High concentrations of WS3 may cause irritation to the skin and eyes, and should be rinsed promptly upon contact. Swallowing should be avoided.

Last Update：2024-05-07 12:11:51