PARP14 inhibitor H10 (Compound H10) is a selective inhibitor of PARP14 (IC50=490 nM) and an inhibitor (blocker/antagonist) of other PARPs (about 24 times that of PARP1). The PARP14 inhibitor H10 induces caspase-3/7-mediated apoptosis.

Physicochemical Properties

Molecular Formula	C24H27N7O7S
Molecular Weight	557.5788834095
Exact Mass	557.169
CAS #	2084811-68-5
PubChem CID	122707115
Appearance	Light yellow to khaki solid powder
LogP	-1
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	14
Heavy Atom Count	39
Complexity	974
Defined Atom Stereocenter Count	0
SMILES	S(C1C=CC=C(C(=O)O)C=1)(NCCN1C=C(CCNC(CCC(NC2C=CC=C(C(N)=O)C=2)=O)=O)N=N1)(=O)=O
InChi Key	MUOMSHSMJCWQFH-UHFFFAOYSA-N
InChi Code	InChI=1S/C24H27N7O7S/c25-23(34)16-3-1-5-18(13-16)28-22(33)8-7-21(32)26-10-9-19-15-31(30-29-19)12-11-27-39(37,38)20-6-2-4-17(14-20)24(35)36/h1-6,13-15,27H,7-12H2,(H2,25,34)(H,26,32)(H,28,33)(H,35,36)
Chemical Name	3-[2-[4-[2-[[4-(3-carbamoylanilino)-4-oxobutanoyl]amino]ethyl]triazol-1-yl]ethylsulfamoyl]benzoic acid
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

References

[1]. Small Molecule Microarray Based Discovery of PARP14 Inhibitors. Angew Chem Int Ed Engl. 2017 Jan 2;56(1):248-253.

Solubility Data

Solubility (In Vitro)

DMSO : ~62.5 mg/mL (~112.09 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (3.73 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 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. Solubility in Formulation 2: ≥ 2.08 mg/mL (3.73 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 20.8 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. Solubility in Formulation 3: ≥ 2.08 mg/mL (3.73 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 20.8 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	1.7935 mL	8.9673 mL	17.9346 mL
	5 mM	0.3587 mL	1.7935 mL	3.5869 mL
	10 mM	0.1793 mL	0.8967 mL	1.7935 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.