ML-226 | CAS#2055172-43-3 | ABHD11 inhibitor

MedKoo Cat#: 584587 | Name: ML-226

Description:

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

ML-226 is an inhibitor of α/β hydrolase domain-containing protein 11 (ABHD11) that inhibits ABHD11 in vitro and in situ.

Chemical Structure

ML-226

CAS#2055172-43-3

Theoretical Analysis

MedKoo Cat#: 584587

Name: ML-226

CAS#: 2055172-43-3

Chemical Formula: C23H26N4O2

Exact Mass: 390.2056

Molecular Weight: 390.49

Elemental Analysis: C, 70.75; H, 6.71; N, 14.35; O, 8.19

Price and Availability

Size	Price	Availability
5mg	USD 350.00	2 Weeks
50mg	USD 750.00	2 Weeks
100mg	USD 1,250.00	2 Weeks
1g	USD 4,250.00	2 Weeks

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Related CAS #

No Data

Synonym

ML-226; ML226; ML 226

IUPAC/Chemical Name

(2-ethyl-1-piperidinyl)[4-(hydroxydiphenylmethyl)-2H-1,2,3-triazol-2-yl]-methanone

InChi Key

DGRUIUDIVFCWMX-UHFFFAOYSA-N

InChi Code

InChI=1S/C23H26N4O2/c1-2-20-15-9-10-16-26(20)22(28)27-24-17-21(25-27)23(29,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,17,20,29H,2,9-10,15-16H2,1H3

SMILES Code

O=C(N1C(CC)CCCC1)N2N=CC(C(C3=CC=CC=C3)(O)C4=CC=CC=C4)=N2

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

>3 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

2934.99.03.00

More Info

Product Data

Product Data

Instruction

View handling instruction

Biological target:

ML226 is a potent α/β hydrolase domain-containing protein 11 (ABHD11) inhibitor in vitro and in situ with IC50s of 15 and 0.68 nM.

In vitro activity:

TBD

In vivo activity:

TBD

	Solvent	mg/mL	mM
Solubility
	DMF	30.0	76.83
	DMSO	30.0	76.83
	DMSO:PBS (pH 7.2) (1:4)	0.2	0.51
	Ethanol	10.0	25.61

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 390.49 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:

TBD

In vitro protocol:

TBD

In vivo protocol:

TBD

1. Adibekian, A., Hsu, K.-L., Speers, A.E., et al. Optimization and characterization of a triazole urea inhibitor for alpha/beta hydrolase domain-containing protein 11 (ABHD11): Anti-probe for LYPLA1/LYPLA2 dual inhibitor ML211. Probe Reports from the NIH Molecular Libraries Program (2010). 2. Adibekian, A., Martin, B.R., Speers, A.E., et al. Optimization and characterization of a triazole urea dual inhibitor for lysophospholipase 1 (LYPLA1) and lysophospholipase 2 (LYPLA2). 1 R01 CA132630, 1-42 (2013).