KT185 is an orally bioavailable, BBB (blood-brain barrier) permeable/penetrable, selective inhibitor of ABHD6 with IC50 of 0.21 nM measured in Neuro2A cells.

Physicochemical Properties

Molecular Formula	C32H33N5O2
Molecular Weight	519.63672709465
Exact Mass	519.263
CAS #	1472640-86-0
PubChem CID	53364498
Appearance	White to off-white solid powder
LogP	5.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	39
Complexity	817
Defined Atom Stereocenter Count	0
SMILES	C1C(C2C=CC=CC=2)N(C(=O)N2C=C(C3C=CC(C4C=C(C(=O)N5CCCCC5)C=CC=4)=CC=3)N=N2)CCC1
InChi Key	SGQNTNACVSWXMA-UHFFFAOYSA-N
InChi Code	InChI=1S/C32H33N5O2/c38-31(35-19-6-2-7-20-35)28-13-9-12-27(22-28)24-15-17-25(18-16-24)29-23-37(34-33-29)32(39)36-21-8-5-14-30(36)26-10-3-1-4-11-26/h1,3-4,9-13,15-18,22-23,30H,2,5-8,14,19-21H2
Chemical Name	[3-[4-[1-(2-phenylpiperidine-1-carbonyl)triazol-4-yl]phenyl]phenyl]-piperidin-1-ylmethanone
Synonyms	KT 185; KT-185; KT185
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]. Discovery and optimization of piperidyl-1,2,3-triazole ureas as potent, selective, and in vivo-active inhibitors of α/β-hydrolase domain containing 6 (ABHD6). J Med Chem. 2013 Nov 14;56(21):8270-9.

Solubility Data

Solubility (In Vitro)

DMSO : ≥ 100 mg/mL (~192.44 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (4.81 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 25.0 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	1.9244 mL	9.6220 mL	19.2441 mL
	5 mM	0.3849 mL	1.9244 mL	3.8488 mL
	10 mM	0.1924 mL	0.9622 mL	1.9244 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.