CP-100356 HCl (CP100356), the hydrochloride salt of CP-100356, is a novel and potent affinity P-glycoprotein (P-gp) inhibitor, inhibiting protypical ABC transporter.

Physicochemical Properties

Molecular Formula	C31H37CLN4O6
Molecular Weight	597.109
Exact Mass	596.24
CAS #	142715-48-8
Related CAS #	142716-85-6;142715-48-8(HCl);
PubChem CID	71312025
Appearance	White to off-white solid powder
LogP	5.187
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	11
Heavy Atom Count	42
Complexity	796
Defined Atom Stereocenter Count	0
InChi Key	WWCHXVYTCMPAMV-UHFFFAOYSA-N
InChi Code	InChI=1S/C31H36N4O6.ClH/c1-36-24-8-7-19(13-25(24)37-2)9-11-32-31-33-23-17-29(41-6)28(40-5)16-22(23)30(34-31)35-12-10-20-14-26(38-3)27(39-4)15-21(20)18-35;/h7-8,13-17H,9-12,18H2,1-6H3,(H,32,33,34);1H
Chemical Name	4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N-(3,4-dimethoxyphenethyl)-6,7-dimethoxyquinazolin-2-amine hydrochloride
Synonyms	CP-100356 HClCP 100356 CP-100356CP100356 CP-100356 hydrochloride
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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture.
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	In human MDR1-transfected MDCKII cells, CP-100356 hydrochloride (0.1-15 μM; only 30 minutes) inhibits the transport of digoxin and calcein-AM solution, with an IC50 of 0.50 μM and digoxin, respectively. CP-100356 hydrochloride (0.064–200 μM; 5 min) suppresses the toxin estrogen 17β 1.2 μM that is mediated by OATP1B1. In investigations of equilibrium inhibition using CP-100356 Hydrochloride (0-50 μM; 10-30 minutes) -D-aldehyde acid solution, the enzymatic activity of monomeric P450 inside P4503A4 is inhibited (IC50 = approximately 66 μM). No inhibition (IC50>50 μM) is observed[1].
ln Vivo	CP-100356 Systemic exposure to fexofenadine at higher dosages (increases in Cmax and AUC at 24 mg/kg of 36 and 80 times, respectively) [1].
References	[1]. N-(3,4-dimethoxyphenethyl)-4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2[1H]-yl)-6,7-dimethoxyquinazolin-2-amine (CP-100,356) as a "chemical knock-out equivalent" to assess the impact of efflux transporters on oral drug absorption in the rat. J Pharm Sci. 2009 Dec;98(12):4914-27.

Solubility Data

Solubility (In Vitro)

DMSO : ~11.36 mg/mL (~19.03 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 1.14 mg/mL (1.91 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 11.4 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: ≥ 1.14 mg/mL (1.91 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 11.4 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: ≥ 1.14 mg/mL (1.91 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 11.4 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	1.6747 mL	8.3737 mL	16.7473 mL
	5 mM	0.3349 mL	1.6747 mL	3.3495 mL
	10 mM	0.1675 mL	0.8374 mL	1.6747 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.