IV-361 is an orally bioactive, selective CDK7 inhibitor (Ki≤50 nM). IV-361 Has potential anticancer/anti-tumor effects (US20190256531A1).

Physicochemical Properties

Molecular Formula	C23H32FN5O2SI
Molecular Weight	457.62
Exact Mass	457.23
CAS #	2055741-39-2
PubChem CID	140882977
Appearance	Typically exists as solid at room temperature
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	32
Complexity	753
Defined Atom Stereocenter Count	0
InChi Key	FYIUNJAFLWNBAI-UHFFFAOYSA-N
InChi Code	InChI=1S/C23H32FN5O2Si/c1-14-8-9-15(24)12-17(14)25-21(31)29-13-16-18(22(29,2)3)27-28-19(16)26-20(30)23(10-7-11-23)32(4,5)6/h8-9,12H,7,10-11,13H2,1-6H3,(H,25,31)(H2,26,27,28,30)
Chemical Name	N-(5-fluoro-2-methylphenyl)-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide
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	CDK7 ≤50 nM (Ki) CDK2 ≥1000 nM (Ki)
ln Vitro	On CDK2 (Ki≥1000 nM) or PLK1 (Ki≥5000 nM), IV-361 exhibits reduced inhibition[1]. Excellent IL-2 and IL-17 production inhibitory activity (all IC50≤100 nM) is demonstrated by IV-361 in peripheral blood mononuclear cells (PBMC)[1]. Excellent HCT-116 cell growth inhibitory action is demonstrated by IV-361 (GI50≤100 nM)[1].
ln Vivo	Orally administered IV-361 (25 mg/kg/day) suppresses tumor volume in female BALB nude mice with HCT-116 at a rate of at least 46%[1].
References	[1]. Noriaki Iwase, et al. Substituted dihydropyrrolopyrazole derivative. US20190256531A1.

Solubility Data

Solubility (In Vitro)

DMSO : 90 mg/mL (196.67 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.25 mg/mL (4.92 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 22.5 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: ≥ 2.25 mg/mL (4.92 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 22.5 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	2.1852 mL	10.9261 mL	21.8522 mL
	5 mM	0.4370 mL	2.1852 mL	4.3704 mL
	10 mM	0.2185 mL	1.0926 mL	2.1852 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.