CM-675 is a selective inhibitor of phosphodiesterase 5 (PDE5) and class I histone deacetylase (HDAC1), with IC50s of 114 nM and 673 nM for PDE5 and HDAC1, respectively. CM-675 may be used in Alzheimer's disease (AD) research.

Physicochemical Properties

Molecular Formula	C31H32N6O3
Molecular Weight	536.624186515808
Exact Mass	536.253
CAS #	1872466-47-1
PubChem CID	136955224
Appearance	Off-white to gray solid powder
LogP	4.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Heavy Atom Count	40
Complexity	906
Defined Atom Stereocenter Count	0
SMILES	O(CC)C1=CC=C(CC2C=CC(C(NC3C=CC=CC=3N)=O)=CC=2)C=C1C1NC(C2=C(C(CCC)=NN2C)N=1)=O
InChi Key	IUKGCTNFPZAWGC-UHFFFAOYSA-N
InChi Code	InChI=1S/C31H32N6O3/c1-4-8-25-27-28(37(3)36-25)31(39)35-29(34-27)22-18-20(13-16-26(22)40-5-2)17-19-11-14-21(15-12-19)30(38)33-24-10-7-6-9-23(24)32/h6-7,9-16,18H,4-5,8,17,32H2,1-3H3,(H,33,38)(H,34,35,39)
Chemical Name	N-(2-aminophenyl)-4-[[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]methyl]benzamide
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	There are notable time-dependent effects of CM-675 (29a) on class I HDAC inhibition, particularly HDAC2. For HDAC1, the preincubation times of 673 nM (30 min), 180 nM (4 h), and 69 nM (6 h) resulted in a considerable increase in inhibitory efficacy (around 1 log unit) [1].
References	[1]. Discovery of in Vivo Chemical Probes for Treating Alzheimer's Disease: Dual Phosphodiesterase 5 (PDE5) and Class I Histone Deacetylase Selective Inhibitors. ACS Chem Neurosci. 2019 Mar 20;10(3):1765-1782.

Solubility Data

Solubility (In Vitro)

DMSO : ~25 mg/mL (~46.59 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 1.25 mg/mL (2.33 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 12.5 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: ≥ 1.25 mg/mL (2.33 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 12.5 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	1.8635 mL	9.3176 mL	18.6352 mL
	5 mM	0.3727 mL	1.8635 mL	3.7270 mL
	10 mM	0.1864 mL	0.9318 mL	1.8635 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.