PDE1-IN-2 is a phosphodiesterase PDE1 inhibitor. For more details, check and find compound 31 from the patent WO2016/55618 A1. The IC50s of PDE1-IN-2 for PDE1C, PDE1B and PDE1A are 6 nM, 140 nM and 164 nM respectively. PDE1-IN-2 was developed for research into neurodegenerative and psychiatric disorders.

Physicochemical Properties

Molecular Formula	C16H21BRN4O2
Molecular Weight	381.267542600632
Exact Mass	380.084
CAS #	1904611-63-7
PubChem CID	121273157
Appearance	White to gray solid powder
Density	1.7±0.1 g/cm3
Boiling Point	563.8±60.0 °C at 760 mmHg
Flash Point	294.8±32.9 °C
Vapour Pressure	0.0±1.5 mmHg at 25°C
Index of Refraction	1.738
LogP	1.94
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	23
Complexity	489
Defined Atom Stereocenter Count	0
InChi Key	UDLAXUPVISWZSI-UHFFFAOYSA-N
InChi Code	InChI=1S/C16H21BrN4O2/c17-13-10-21-14(12-5-7-23-8-6-12)18-19-15(21)16(22)20(13)9-11-3-1-2-4-11/h10-12H,1-9H2
Chemical Name	6-bromo-7-(cyclopentylmethyl)-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one
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	The central nervous system (CNS) expresses PDE1 enzymes, which makes this gene family a desirable source of novel targets for the treatment of neurological and psychiatric disorders [1].
References	[1]. Triazolopyrazinones as pde1 inhibitors. WO2016055618A1.

Solubility Data

Solubility (In Vitro)

DMSO : ~25 mg/mL (~65.57 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (6.56 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 25.0 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.6228 mL	13.1141 mL	26.2281 mL
	5 mM	0.5246 mL	2.6228 mL	5.2456 mL
	10 mM	0.2623 mL	1.3114 mL	2.6228 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.