KT185 | CAS#1472640-86-0 | ABHD6 inhibitor

MedKoo Cat#: 562670 | Name: KT185

Featured

Description:

WARNING: This product is for research use only, not for human or veterinary use.

KT185 is the first orally-active ABHD6-selective inhibitor. It displays excellent selectivity against other brain and liver serine hydrolases in vivo.

Chemical Structure

KT185

CAS#1472640-86-0

Theoretical Analysis

MedKoo Cat#: 562670

Name: KT185

CAS#: 1472640-86-0

Chemical Formula: C32H33N5O2

Exact Mass: 519.2634

Molecular Weight: 519.65

Elemental Analysis: C, 73.96; H, 6.40; N, 13.48; O, 6.16

Price and Availability

Size	Price	Availability
5mg	USD 295.00	2 Weeks
10mg	USD 485.00	2 Weeks
25mg	USD 900.00	2 Weeks

Bulk Inquiry

Buy Now

Add to Cart

Related CAS #

No Data

Synonym

KT185; KT-185; KT 185;

IUPAC/Chemical Name

(2-Phenylpiperidin-1-yl)(4-(3'-(piperidine-1-carbonyl)-[1,1'-biphenyl]-4-yl)-1H-1,2,3-triazol-1-yl)methanone

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

SMILES Code

O=C(N1C(C2=CC=CC=C2)CCCC1)N3N=NC(C4=CC=C(C5=CC=CC(C(N6CCCCC6)=O)=C5)C=C4)=C3

Appearance

Solid powder

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

Soluble in DMSO

Shelf Life

>2 years if stored properly

Drug Formulation

This drug may be formulated in DMSO

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.9001

More Info

Product Data

Product Data

Instruction

View handling instruction

Biological target:

KT185 is an orally-bioavailable, brain-penetrant and selective ABHD6 inhibitor, with an IC50 0.21 nM in Neuro2A cells.

In vitro activity:

This study found that both compound 9 and 20 blocked > 90% of ABHD6 activity, while 11 (KT185) blocked > 80% of ABHD6 activity in Neuro2A cells, and, importantly, none of the compounds showed substantial cross-reactivity (< 50%) against the ∼50 other SHs detected in this cell line (Figure 5). Reference: J Med Chem. 2013 Nov 14;56(21):8270-9. https://pubmed.ncbi.nlm.nih.gov/24152295/

In vivo activity:

This study also found that compound 11 (KT185) was orally active in mice (p.o., PEG300 vehicle, 4 μL g-1, 4 hr), producing complete blockade of brain ABHD6 at 40 mg/kg as measured by gel-based competitive ABPP using HT-01 and FP-Rh (Figure 7B) with the only detectable off-target being CES1. These data confirm that compound 11 is an orally-bioavailable and selective ABHD6 inhibitor in vivo, showing minimal cross-reactivity with other SHs in the mouse brain and liver across a broad dose-range. Reference: J Med Chem. 2013 Nov 14;56(21):8270-9. https://pubmed.ncbi.nlm.nih.gov/24152295/

	Solvent	mg/mL	mM
Solubility
	DMF	30.0	57.73
	DMSO	65.0	125.08
	Ethanol	30.0	57.73

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 519.65 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

Formulation protocol:

1. Hsu KL, Tsuboi K, Chang JW, Whitby LR, Speers AE, Pugh H, Cravatt BF. 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. doi: 10.1021/jm400899c. Epub 2013 Oct 23. PMID: 24152295; PMCID: PMC3987869.

In vitro protocol:

In vivo protocol:

1: Hsu KL, Tsuboi K, Chang JW, Whitby LR, Speers AE, Pugh H, Cravatt BF. 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. doi: 10.1021/jm400899c. Epub 2013 Oct 23. PubMed PMID: 24152295; PubMed Central PMCID: PMC3987869.