Mcl1-IN-1 is a myeloid cytokine 1 (Mcl-1) inhibitor (antagonist) with IC50 of 2.4 µM.

Physicochemical Properties

Molecular Formula	C23H18CLN3O4
Molecular Weight	435.86
Exact Mass	435.098
CAS #	713492-66-1
PubChem CID	2966040
Appearance	White to off-white solid powder
Density	1.5±0.1 g/cm3
Boiling Point	681.6±55.0 °C at 760 mmHg
Flash Point	366.0±31.5 °C
Vapour Pressure	0.0±2.2 mmHg at 25°C
Index of Refraction	1.721
LogP	4.02
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Heavy Atom Count	31
Complexity	597
Defined Atom Stereocenter Count	0
InChi Key	VMEDTSNKTYMQLG-UHFFFAOYSA-N
InChi Code	InChI=1S/C23H18ClN3O4/c24-17-12-16(23(30)22-14(17)7-5-11-26-22)21(27-19-9-3-4-10-25-19)15-6-1-2-8-18(15)31-13-20(28)29/h1-12,21,30H,13H2,(H,25,27)(H,28,29)
Chemical Name	2-[2-[(5-chloro-8-hydroxyquinolin-7-yl)-(pyridin-2-ylamino)methyl]phenoxy]acetic acid
Synonyms	Mcl1 IN 1; Mcl1IN1; Mcl1-IN-1
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	Mcl1-IN-1 (Compound 1) is a Mcl-1 inhibitor with a good IC50 of 2.4 µM for Mcl-1 inhibition, but at 100 µM for Bcl-xL, it has no discernible inhibitory effect[1].
References	[1]. Hydroxyquinoline-derived compounds and analoguing of selective Mcl-1 inhibitors using a functional biomarker. Bioorg Med Chem. 2013 Nov 1;21(21):6642-9.

Solubility Data

Solubility (In Vitro)

DMSO : ≥ 50 mg/mL (~114.72 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (5.74 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 (5.74 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	2.2943 mL	11.4716 mL	22.9431 mL
	5 mM	0.4589 mL	2.2943 mL	4.5886 mL
	10 mM	0.2294 mL	1.1472 mL	2.2943 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.