PETCM is an activator of caspase-3 and acts in a cytochrome c (cyto c)-dependent manner. PETCM can promote the oligomerization of Apaf-1 and cause apoptosis in HeLa cells.

Physicochemical Properties

Molecular Formula	C8H8CL3NO
Molecular Weight	240.51
Exact Mass	238.967
CAS #	10129-56-3
PubChem CID	224859
Appearance	Light yellow to light brown solid powder
Density	1.465g/cm3
Boiling Point	342.2ºC at 760mmHg
Flash Point	160.8ºC
Vapour Pressure	2.94E-05mmHg at 25°C
Index of Refraction	1.579
LogP	2.355
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	13
Complexity	154
Defined Atom Stereocenter Count	0
InChi Key	NGTDJJKTGRNNAU-UHFFFAOYSA-N
InChi Code	InChI=1S/C8H8Cl3NO/c9-8(10,11)7(13)5-6-1-3-12-4-2-6/h1-4,7,13H,5H2
Chemical Name	1,1,1-trichloro-3-pyridin-4-ylpropan-2-ol
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

Targets	Caspase 3
ln Vitro	In a dose-dependent manner, PETCM (0.1–0.5 mM) increases the caspase-3 activity (DEVD activity) of HeLa S-100. Furthermore, 0.2 mM PETCM is more effective in activating caspase-3 than 1 mM dATP[1]. Apoptosome formation is stimulated by PETCM (0.2 mM; 1 hour). In a typical HeLa cell S-100 fraction, Apaf-1 exists as an inactive monomeric form. When exposed to 1 mM dATP, the majority of Apaf-1 shifted to a 1 million dalton size. Similar shift is seen in Apaf-1 after the S-100 fraction with 0.2 mM PETCM. Additionally, using 0.2 mM PETCM improved the efficiency of apoptosome formation[1]. The inhibitory effect of ProT decreased caspase-3 activation in HeLa cells can be countered by PETCM (0.2 mM; 1 hour)[1].
Cell Assay	Western Blot Analysis[1] Cell Types: HeLa cells Tested Concentrations: 0.2 mM Incubation Duration: 1 hour Experimental Results: Increased apoptosome formation.
References	[1]. Direct activation of the apoptosis machinery as a mechanism to target cancer cells.Proc Natl Acad Sci U S A. 2003 Jun 24;100(13):7533-8. [2]. Distinctive roles of PHAP proteins and prothymosin-alpha in a death regulatory pathway. Science, 2003, 299(5604): 223-226.
Additional Infomation	1,1,1-trichloro-3-pyridin-4-yl-2-propanol is a member of pyridines.

Solubility Data

Solubility (In Vitro)

DMSO : 100 mg/mL (415.78 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (10.39 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (10.39 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (10.39 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	4.1578 mL	20.7892 mL	41.5783 mL
	5 mM	0.8316 mL	4.1578 mL	8.3157 mL
	10 mM	0.4158 mL	2.0789 mL	4.1578 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.