Pimelic Diphenylamide 106 is a slow, tight-binding class I HDAC inhibitor (inhibits HDAC1, 2, and 3, IC50s 150 nM, 760 nM, and 370 nM, respectively) with no activity against class II HDACs.

Physicochemical Properties

Molecular Formula	C20H25N3O2
Molecular Weight	339.4314
Exact Mass	339.194
Elemental Analysis	C, 70.77; H, 7.42; N, 12.38; O, 9.43
CAS #	937039-45-7
Related CAS #	Pimelic Diphenylamide 106 (analog);2070015-24-4
PubChem CID	16070100
Appearance	White to yellow solid powder
Density	1.2±0.1 g/cm3
Boiling Point	627.3±45.0 °C at 760 mmHg
Flash Point	333.1±28.7 °C
Vapour Pressure	0.0±1.8 mmHg at 25°C
Index of Refraction	1.636
LogP	2.51
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Heavy Atom Count	25
Complexity	419
Defined Atom Stereocenter Count	0
SMILES	O=C(CCCCCC(NC1C(N)=CC=CC=1)=O)NC1C=CC(C)=CC=1
InChi Key	WTKBRPXPNAKVEQ-UHFFFAOYSA-N
InChi Code	InChI=1S/C20H25N3O2/c1-15-11-13-16(14-12-15)22-19(24)9-3-2-4-10-20(25)23-18-8-6-5-7-17(18)21/h5-8,11-14H,2-4,9-10,21H2,1H3,(H,22,24)(H,23,25)
Chemical Name	N'-(2-aminophenyl)-N-(4-methylphenyl)heptanediamide
Synonyms	TC-H 106, TC-H106, TC-H-106, TCH-106, TCH 106, TCH106, Histone Deacetylase Inhibitor VII, Pimelic Diphenylamide 106
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]. Pimelic diphenylamide 106 is a slow, tight-binding inhibitor of class I histone deacetylases. J Biol Chem. 2008 Dec 19;283(51):35402-35409. [2]. Chemical probes identify a role for histone deacetylase 3 in Friedreich's ataxia gene silencing. Chem Biol. 2009 Sep 25;16(9):980-989.
Additional Infomation	N'-(2-aminophenyl)-N-(4-methylphenyl)heptanediamide is an aromatic amine and an aromatic amide.

Solubility Data

Solubility (In Vitro)

DMSO : ~125 mg/mL (~368.26 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 0.55 mg/mL (1.62 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 5.5 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: ≥ 0.55 mg/mL (1.62 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 5.5 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: ≥ 0.55 mg/mL (1.62 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 5.5 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	2.9461 mL	14.7306 mL	29.4612 mL
	5 mM	0.5892 mL	2.9461 mL	5.8922 mL
	10 mM	0.2946 mL	1.4731 mL	2.9461 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.