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MedKoo Cat#: 462952 | Name: ML-133 HCl
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Description:

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

ML-133 is an inward-rectifier potassium channel 2 inhibitor. It is selective for Kir2 channels over Kir1.1 and Kir4.1 channels. ML-133 prevents the development of dynamic, but not punctate, mechanical allodynia in a mouse model of spared nerve injury.

Chemical Structure

ML-133 HCl
ML-133 HCl
CAS#1222781-70-5

Theoretical Analysis

MedKoo Cat#: 462952

Name: ML-133 HCl

CAS#: 1222781-70-5

Chemical Formula: C19H20ClNO

Exact Mass: 313.1233

Molecular Weight: 313.83

Elemental Analysis: C, 72.72; H, 6.42; Cl, 11.30; N, 4.46; O, 5.10

Price and Availability

Size Price Availability Quantity
5mg USD 350.00 2 Weeks
10mg USD 550.00 2 Weeks
25mg USD 1,250.00 2 Weeks
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Synonym
ML-133 (hydrochloride);
IUPAC/Chemical Name
N-(4-methoxybenzyl)-1-(naphthalen-1-yl)methanamine hydrochloride
InChi Key
NGQIBUUFXDPHKT-UHFFFAOYSA-N
InChi Code
InChI=1S/C19H19NO.ClH/c1-21-18-11-9-15(10-12-18)13-20-14-17-7-4-6-16-5-2-3-8-19(16)17;/h2-12,20H,13-14H2,1H3;1H
SMILES Code
COC1=CC=C(CNCC2=CC=CC3=C2C=CC=C3)C=C1.Cl
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
2934.99.9001
More Info
Product Data
Product Data
Instruction
View handling instruction
Biological target:
ML133 hydrochloride is a selective Kir2 family channels inhibitor, with an IC50 of 1.8 μM at pH 7.4 and 290 nM at pH 8.5.
In vitro activity:
This study reports one potent K(ir)2.1 inhibitor, ML133, which inhibits K(ir)2.1 with an IC(50) of 1.8 μM at pH 7.4 and 290 nM at pH 8.5 but exhibits little selectivity against other members of Kir2.x family channels. Using chimeric channels between K(ir)2.1 and K(ir)1.1 and site-directed mutagenesis, this study has identified D172 and I176 within M2 segment of K(ir)2.1 as molecular determinants critical for the potency of ML133 mediated inhibition. Double mutation of the corresponding residues of K(ir)1.1 to those of K(ir)2.1 (N171D and C175I) transplants ML133 inhibition to K(ir)1.1. Reference: ACS Chem Biol. 2011 Aug 19;6(8):845-56. https://pubmed.ncbi.nlm.nih.gov/21615117/
In vivo activity:
This study first found that pretreatment with ML133, a selective Kir2.1 inhibitor, by intrathecal administration, preferentially inhibited dynamic, but not punctate, allodynia in mice with spared nerve injury (SNI). This study further found that SNI significantly suppressed the frequency, but not the amplitude, of the glycinergic spontaneous inhibitory postsynaptic currents (gly-sIPSCs) in neurons on the lamina II-III border of the spinal dorsal horn, and pretreatment with ML133 prevented the SNI-induced gly-sIPSC reduction. Furthermore, 5 days after SNI, ML133, either by intrathecal administration or acute bath perfusion, and strychnine sensitively reversed the SNI-induced dynamic, but not punctate, allodynia and the gly-sIPSC reduction in lamina IIi neurons, respectively. Reference: Neurosci Bull. 2019 Apr;35(2):301-314. https://pubmed.ncbi.nlm.nih.gov/30203408/
Solvent mg/mL mM comments
Solubility
DMF 1.0 3.19
DMSO 48.9 155.64
DMSO:PBS (pH 7.2) (1:1) 0.5 1.59
Ethanol 6.0 19.12
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 313.83 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.

Recalculate based on batch purity %
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. Xie YF, Wang Y, Rong Y, He W, Yan M, Li X, Si J, Li L, Zhang Y, Ma K. Hypoxia Induces Apoptosis of Microglia BV2 by Upregulating Kir2.1 to Activate Mitochondrial-Related Apoptotic Pathways. Dis Markers. 2022 Mar 17;2022:5855889. doi: 10.1155/2022/5855889. PMID: 35340413; PMCID: PMC8947871. 2. Wang HR, Wu M, Yu H, Long S, Stevens A, Engers DW, Sackin H, Daniels JS, Dawson ES, Hopkins CR, Lindsley CW, Li M, McManus OB. Selective inhibition of the K(ir)2 family of inward rectifier potassium channels by a small molecule probe: the discovery, SAR, and pharmacological characterization of ML133. ACS Chem Biol. 2011 Aug 19;6(8):845-56. doi: 10.1021/cb200146a. Epub 2011 Jun 13. PMID: 21615117; PMCID: PMC3177608. 3. Gattlen C, Deftu AF, Tonello R, Ling Y, Berta T, Ristoiu V, Suter MR. The inhibition of Kir2.1 potassium channels depolarizes spinal microglial cells, reduces their proliferation, and attenuates neuropathic pain. Glia. 2020 Oct;68(10):2119-2135. doi: 10.1002/glia.23831. Epub 2020 Mar 27. PMID: 32220118. 4. Shi Y, Chen Y, Wang Y. Kir2.1 Channel Regulation of Glycinergic Transmission Selectively Contributes to Dynamic Mechanical Allodynia in a Mouse Model of Spared Nerve Injury. Neurosci Bull. 2019 Apr;35(2):301-314. doi: 10.1007/s12264-018-0285-8. Epub 2018 Sep 11. PMID: 30203408; PMCID: PMC6426903.
In vitro protocol:
1. Xie YF, Wang Y, Rong Y, He W, Yan M, Li X, Si J, Li L, Zhang Y, Ma K. Hypoxia Induces Apoptosis of Microglia BV2 by Upregulating Kir2.1 to Activate Mitochondrial-Related Apoptotic Pathways. Dis Markers. 2022 Mar 17;2022:5855889. doi: 10.1155/2022/5855889. PMID: 35340413; PMCID: PMC8947871. 2. Wang HR, Wu M, Yu H, Long S, Stevens A, Engers DW, Sackin H, Daniels JS, Dawson ES, Hopkins CR, Lindsley CW, Li M, McManus OB. Selective inhibition of the K(ir)2 family of inward rectifier potassium channels by a small molecule probe: the discovery, SAR, and pharmacological characterization of ML133. ACS Chem Biol. 2011 Aug 19;6(8):845-56. doi: 10.1021/cb200146a. Epub 2011 Jun 13. PMID: 21615117; PMCID: PMC3177608.
In vivo protocol:
1. Gattlen C, Deftu AF, Tonello R, Ling Y, Berta T, Ristoiu V, Suter MR. The inhibition of Kir2.1 potassium channels depolarizes spinal microglial cells, reduces their proliferation, and attenuates neuropathic pain. Glia. 2020 Oct;68(10):2119-2135. doi: 10.1002/glia.23831. Epub 2020 Mar 27. PMID: 32220118. 2. Shi Y, Chen Y, Wang Y. Kir2.1 Channel Regulation of Glycinergic Transmission Selectively Contributes to Dynamic Mechanical Allodynia in a Mouse Model of Spared Nerve Injury. Neurosci Bull. 2019 Apr;35(2):301-314. doi: 10.1007/s12264-018-0285-8. Epub 2018 Sep 11. PMID: 30203408; PMCID: PMC6426903.