CAN508 is a potent, ATP-competitive inhibitor of CDK9/cyclin T1 with IC50 of 0.35 μM. CAN508 is 38 times more selective for CDK9/cyclin T1 than other CDK/cyclins. CAN508 has anti-tumor effects.

Physicochemical Properties

Molecular Formula	C9H10N6O
Molecular Weight	218.22
Exact Mass	218.091
CAS #	140651-18-9
PubChem CID	135398514
Appearance	Light yellow to yellow solid powder
Density	1.7±0.1 g/cm3
Boiling Point	638.3±55.0 °C at 760 mmHg
Flash Point	339.8±31.5 °C
Vapour Pressure	0.0±2.0 mmHg at 25°C
Index of Refraction	1.803
LogP	0.4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	16
Complexity	252
Defined Atom Stereocenter Count	0
SMILES	C1=C(C=CC(=C1)O)N=NC2=C(N)NNC2=N
InChi Key	AYZRKFOEZQBUEA-UHFFFAOYSA-N
InChi Code	InChI=1S/C9H10N6O/c10-8-7(9(11)15-14-8)13-12-5-1-3-6(16)4-2-5/h1-4,16H,(H5,10,11,14,15)
Chemical Name	4-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]phenol
Synonyms	CAY 10574; CAY-10574; CAY10574
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: This product requires protection from light (avoid light exposure) during transportation and storage.
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 an anti-proliferation experiment, CAN508 lowers the frequency of S-phase cells in the cancer cell line HT-29 [1]. In all three esophageal cancer cell lines (SKGT4, OE33, and FLO-1 cells), CAN508 (20–40 μM; 72 hours) dramatically inhibited cell growth in a dose-dependent manner, with an IC50 ranging from 34.99 to 91.09 μM[2]. All three kinds of esophageal cancer cell types exhibit increased apoptosis in response to CAN508 (40 μM; 72 hours) [2].
ln Vivo	On esophageal cancer xenografts, CAN508 (60 mg/kg; i.p.; once daily for 10 days) has antitumor activity [1].
Cell Assay	Apoptosis analysis[1] Cell Types: SKGT4, OE33 and FLO-1 Cell Tested Concentrations: 40 μM Incubation Duration: 72 hrs (hours) Experimental Results: Increased apoptosis in all three esophageal adenocarcinoma cells compared to untreated controls 2 times.
Animal Protocol	Animal/Disease Models: 4weeks old female nude mice (esophageal adenocarcinoma xenograft) [1] Doses: 60 mg/kg Route of Administration: Ip; one time/day for 10 days Experimental Results: Tumor growth starting on the third day after treatment diminished by 50.83%.
References	[1]. 4-arylazo-3,5-diamino-1H-pyrazole CDK inhibitors: SAR study, crystal structure in complex with CDK2, selectivity, and cellular effects. J Med Chem. 2006;49(22):6500-6509. [2]. Antitumor effects of cyclin dependent kinase 9 inhibition in esophageal adenocarcinoma. Oncotarget. 2017;8(17):28696-28710.
Additional Infomation	CAN-508 is a member of the class of pyrazoles that is 1H-pyrazole substituted by amino, (4-hydroxyphenyl)diazenyl, and amino groups at positions 3, 4 and 5, respectively. It is a CDK9 inhibitor (IC50 = 0.35 muM) with 38-fold selectivity for CDK9/cyclin T over other CDK/cyclin complexes. It has a role as an angiogenesis inhibitor, an EC 2.7.11.22 (cyclin-dependent kinase) inhibitor, an antineoplastic agent and an apoptosis inducer. It is a member of pyrazoles, a member of phenols, an aromatic amine and a monoazo compound.

Solubility Data

Solubility (In Vitro)

DMSO : ~250 mg/mL (~1145.63 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (9.53 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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 20.8 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	4.5825 mL	22.9127 mL	45.8253 mL
	5 mM	0.9165 mL	4.5825 mL	9.1651 mL
	10 mM	0.4583 mL	2.2913 mL	4.5825 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.