EC330 is a leukemia inhibitory factor (LIF) inhibitor. EC330 is a reagent for click chemistry. It has Alkyne groups and could undergo CuAAc (copper-catalyzed azide-alkyne cycloaddition reaction) with compounds bearing Azide groups.

Physicochemical Properties

Molecular Formula	C30H32F2O2
Molecular Weight	462.570695877075
Exact Mass	462.237
CAS #	2016795-77-8
PubChem CID	127020967
Appearance	White to gray solid powder
LogP	4.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	34
Complexity	1000
Defined Atom Stereocenter Count	5
SMILES	C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(C(C#C)(F)F)O)C5=CC=C(C=C5)C6CC6
InChi Key	OWPPSPZDYGHPAN-GCNJZUOMSA-N
InChi Code	InChI=1S/C30H32F2O2/c1-3-30(31,32)29(34)15-14-26-24-12-10-21-16-22(33)11-13-23(21)27(24)25(17-28(26,29)2)20-8-6-19(7-9-20)18-4-5-18/h1,6-9,16,18,24-26,34H,4-5,10-15,17H2,2H3/t24-,25+,26-,28-,29-/m0/s1
Chemical Name	(8S,11R,13S,14S,17S)-11-(4-cyclopropylphenyl)-17-(1,1-difluoroprop-2-ynyl)-17-hydroxy-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
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

ln Vitro	When EC330 was compared to MCF-7 cells overexpressing LIF, EC330 demonstrated a considerable amount of apoptosis. It has also been demonstrated that EC330 inhibits and kills cancer-associated fibroblasts (CAFs) by blocking α-SMA but not β-tubulin [1].
ln Vivo	The EC330 therapy (0.1, 0.5, and 2.5 mg/kg) decreased the EC330 sulfide response in the MDA-MB-231 PDX model as well as the ovarian (IGROV-1) and triple-negative breast cancer (MDA-MB-231) cell xenograft models in a dose-dependent manner. The alcohol-cysteine residue is non-reactive and does not attach to ion channel off-targets, main receptors, or inhibitors. According to toxicity tests, EC330 is safe and well-tolerated, and it has wound bioavailability [1].
References	[1]. Nair HB, et al. Discovery and preclinical pharmacology of EC330: A first-in-class leukemia inhibitory factor (LIF) inhibitor

Solubility Data

Solubility (In Vitro)

DMSO : ~20 mg/mL (~43.24 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2 mg/mL (4.32 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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 20.0 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.1618 mL	10.8092 mL	21.6183 mL
	5 mM	0.4324 mL	2.1618 mL	4.3237 mL
	10 mM	0.2162 mL	1.0809 mL	2.1618 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.