Efflux inhibitor-1 (compound 2) is a pyrazoline[1,5-a] pyrimidine efflux inhibitor. Efflux inhibitor-1 selectively targets ABCG2 among ABCG2/BCRP and ABCB1, with IC50 of 0.45 μM and 2.17 μM respectively.

Physicochemical Properties

Molecular Formula	C28H25N5O3
Molecular Weight	479.529805898666
Exact Mass	479.195
CAS #	1776055-29-8
PubChem CID	44640183
Appearance	Light yellow to yellow solid powder
LogP	4.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	36
Complexity	741
Defined Atom Stereocenter Count	0
SMILES	C(C1C=COC=1)(N1CCN(C2N3N=C(C4=CC=CC=C4OC)C=C3N=C(C3=CC=CC=C3)C=2)CC1)=O
InChi Key	SFNWNSAJWDYPJC-UHFFFAOYSA-N
InChi Code	InChI=1S/C28H25N5O3/c1-35-25-10-6-5-9-22(25)24-17-26-29-23(20-7-3-2-4-8-20)18-27(33(26)30-24)31-12-14-32(15-13-31)28(34)21-11-16-36-19-21/h2-11,16-19H,12-15H2,1H3
Chemical Name	furan-3-yl-[4-[2-(2-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone
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	IC50: 0.45 μM (ABCG2/BCRP), 2.17 μM (ABCB1)[1]
References	[1]. Selective efflux inhibitors and related pharmaceutical compositions and methods of treatment: United States, US9056111[P]. 2015-06-16.
Additional Infomation	3-furanyl-[4-[2-(2-methoxyphenyl)-5-phenyl-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]methanone is a member of pyrimidines.

Solubility Data

Solubility (In Vitro)

DMSO: 50 mg/mL (104.27 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (5.21 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 (5.21 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	2.0854 mL	10.4269 mL	20.8538 mL
	5 mM	0.4171 mL	2.0854 mL	4.1708 mL
	10 mM	0.2085 mL	1.0427 mL	2.0854 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.