DC_517 is a DNMT1 inhibitor (antagonist) with IC50 and Kds of 1.7 μM and 0.91 μM, respectively.

Physicochemical Properties

Molecular Formula	C33H35N3O2
Molecular Weight	505.66
Exact Mass	505.272
CAS #	500017-70-9
PubChem CID	3713657
Appearance	White to off-white solid powder
Density	1.2±0.1 g/cm3
Boiling Point	727.9±60.0 °C at 760 mmHg
Flash Point	394.0±32.9 °C
Vapour Pressure	0.0±2.5 mmHg at 25°C
Index of Refraction	1.644
LogP	8.26
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	10
Heavy Atom Count	38
Complexity	654
Defined Atom Stereocenter Count	0
InChi Key	BLTONWSCODZCNA-UHFFFAOYSA-N
InChi Code	InChI=1S/C33H35N3O2/c1-23(2)34-19-24(37)22-38-25(20-35-30-15-7-3-11-26(30)27-12-4-8-16-31(27)35)21-36-32-17-9-5-13-28(32)29-14-6-10-18-33(29)36/h3-18,23-25,34,37H,19-22H2,1-2H3
Chemical Name	1-[1,3-di(carbazol-9-yl)propan-2-yloxy]-3-(propan-2-ylamino)propan-2-ol
Synonyms	DC517; DC 517; DC_517
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	DC_517 is a DNMT1 inhibitor with IC50 and Kd values of 1.7 μM and 0.91 μM, respectively. DC_517 (1.25, 2.5, 5 and 10 μM) substantially suppressed the growth of HCT116 (human colon cancer) and Capan-1 (human pancreatic adenocarcinoma cells) after 24, 48, and 72 hours of treatment. DC_517 (0, 0.75, 1.5, and 3 μM) causes apoptosis in HCT116 cells in a dose-dependent manner [1].
References	[1]. Identifying novel selective non-nucleoside DNA methyltransferase 1 inhibitors through docking-based virtual screening. J Med Chem. 2014 Nov 13;57(21):9028-9041.
Additional Infomation	DC_517 is a member of the class of carbazoles that is 1,3-di(9H-carbazol-9-yl)propan-2-ol in which the hydroxy group is replaced by a 2-hydroxy-3-[(propan-2-yl)amino]propoxy group. It is a DNA methyltransferase 1 inhibitor (IC50 = 1.7 muM). It has a role as an EC 2.1.1.37 [DNA (cytosine-5-)-methyltransferase] inhibitor, an apoptosis inducer and an antineoplastic agent. It is a member of carbazoles, an ether, a secondary amino compound, a secondary alcohol and a tertiary amino compound.

Solubility Data

Solubility (In Vitro)

DMSO : ≥ 50 mg/mL (~98.88 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 3.25 mg/mL (6.43 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 32.5 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of 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: 3.25 mg/mL (6.43 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 32.5 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: ≥ 3.25 mg/mL (6.43 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 32.5 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	1.9776 mL	9.8881 mL	19.7761 mL
	5 mM	0.3955 mL	1.9776 mL	3.9552 mL
	10 mM	0.1978 mL	0.9888 mL	1.9776 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.