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MedKoo Cat#: 562786 | Name: ML382
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Description:

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

ML382 is a potent and selective positive allosteric modulator of MrgX1.

Chemical Structure

ML382
ML382
CAS#1646499-97-9

Theoretical Analysis

MedKoo Cat#: 562786

Name: ML382

CAS#: 1646499-97-9

Chemical Formula: C18H20N2O4S

Exact Mass: 360.1144

Molecular Weight: 360.43

Elemental Analysis: C, 59.98; H, 5.59; N, 7.77; O, 17.76; S, 8.89

Price and Availability

Size Price Availability Quantity
10mg USD 150.00 Ready to ship
25mg USD 250.00 Ready to ship
50mg USD 450.00 Ready to ship
100mg USD 750.00 Ready to ship
200mg USD 1,350.00 Ready to ship
500mg USD 2,850.00 Ready to ship
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Related CAS #
No Data
Synonym
ML382; ML-382; ML 382;
IUPAC/Chemical Name
2-(Cyclopropanesulfonamido)-N-(2-ethoxyphenyl)benzamide
InChi Key
RCSLEKLNDJJJLF-UHFFFAOYSA-N
InChi Code
InChI=1S/C18H20N2O4S/c1-2-24-17-10-6-5-9-16(17)19-18(21)14-7-3-4-8-15(14)20-25(22,23)13-11-12-13/h3-10,13,20H,2,11-12H2,1H3,(H,19,21)
SMILES Code
O=C(NC1=CC=CC=C1OCC)C2=CC=CC=C2NS(=O)(C3CC3)=O
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
Biological target:
ML382 is a potent and selective MRGPRX1 (Mas-related G protein-coupled receptor X1, MrgX1) positive allosteric modulator, with an EC50 of 190 nM.
In vitro activity:
ML382 did not inhibit 67 of the 68 targets assayed (inhibition of radio ligand binding >50% at 10 μM); with the only target that was considered active was the serotonin (5-hydroxytryptamine), 5HT2B which showed 63% inhibition at 10 μM. Overall, ML382 displayed a very favourable selectivity profile. Reference: ChemMedChem. 2015 Jan;10(1):57-61. https://pubmed.ncbi.nlm.nih.gov/25209672/
In vivo activity:
In models of CFA-induced inflammatory pain (Fig. 7 C and D) and sciatic CCI-induced neuropathic pain (Fig. 7 E and F), ML382 (25 μM, 125 μM, and 250 μM; 5 μL; i.th. administration) dose-dependently attenuated heat hypersensitivity in MrgprX1 mice, but not in Mrgpr−/− mice. Contralateral heat nociception was not affected by drug treatment. Therefore, ML382 was able to induce antihyperalgesic effects without requiring exogenous BAM peptides. Reference: Proc Natl Acad Sci U S A. 2017 Mar 7;114(10):E1996-E2005. https://pubmed.ncbi.nlm.nih.gov/28223516/
Solvent mg/mL mM comments
Solubility
DMSO 68.0 188.72
Ethanol 7.2 20.00
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 360.43 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. Li Z, Tseng PY, Tiwari V, Xu Q, He SQ, Wang Y, Zheng Q, Han L, Wu Z, Blobaum AL, Cui Y, Tiwari V, Sun S, Cheng Y, Huang-Lionnet JH, Geng Y, Xiao B, Peng J, Hopkins C, Raja SN, Guan Y, Dong X. Targeting human Mas-related G protein-coupled receptor X1 to inhibit persistent pain. Proc Natl Acad Sci U S A. 2017 Mar 7;114(10):E1996-E2005. doi: 10.1073/pnas.1615255114. Epub 2017 Feb 21. PMID: 28223516; PMCID: PMC5347560. 2. Wen W, Wang Y, Li Z, Tseng PY, McManus OB, Wu M, Li M, Lindsley CW, Dong X, Hopkins CR. Discovery and characterization of 2-(cyclopropanesulfonamido)-N-(2-ethoxyphenyl)benzamide, ML382: a potent and selective positive allosteric modulator of MrgX1. ChemMedChem. 2015 Jan;10(1):57-61. doi: 10.1002/cmdc.201402277. Epub 2014 Sep 10. PMID: 25209672; PMCID: PMC4276534.
In vitro protocol:
1. Li Z, Tseng PY, Tiwari V, Xu Q, He SQ, Wang Y, Zheng Q, Han L, Wu Z, Blobaum AL, Cui Y, Tiwari V, Sun S, Cheng Y, Huang-Lionnet JH, Geng Y, Xiao B, Peng J, Hopkins C, Raja SN, Guan Y, Dong X. Targeting human Mas-related G protein-coupled receptor X1 to inhibit persistent pain. Proc Natl Acad Sci U S A. 2017 Mar 7;114(10):E1996-E2005. doi: 10.1073/pnas.1615255114. Epub 2017 Feb 21. PMID: 28223516; PMCID: PMC5347560. 2. Wen W, Wang Y, Li Z, Tseng PY, McManus OB, Wu M, Li M, Lindsley CW, Dong X, Hopkins CR. Discovery and characterization of 2-(cyclopropanesulfonamido)-N-(2-ethoxyphenyl)benzamide, ML382: a potent and selective positive allosteric modulator of MrgX1. ChemMedChem. 2015 Jan;10(1):57-61. doi: 10.1002/cmdc.201402277. Epub 2014 Sep 10. PMID: 25209672; PMCID: PMC4276534.
In vivo protocol:
1. Li Z, Tseng PY, Tiwari V, Xu Q, He SQ, Wang Y, Zheng Q, Han L, Wu Z, Blobaum AL, Cui Y, Tiwari V, Sun S, Cheng Y, Huang-Lionnet JH, Geng Y, Xiao B, Peng J, Hopkins C, Raja SN, Guan Y, Dong X. Targeting human Mas-related G protein-coupled receptor X1 to inhibit persistent pain. Proc Natl Acad Sci U S A. 2017 Mar 7;114(10):E1996-E2005. doi: 10.1073/pnas.1615255114. Epub 2017 Feb 21. PMID: 28223516; PMCID: PMC5347560.
1: Wen W, Wang Y, McManus O, Wu M, Li M, Lindsley CW, Dong X, Hopkins CR. Discovery and characterization of a small molecule allosteric agonist of MrgX1. 2013 Dec 15 [updated 2015 Feb 11]. Probe Reports from the NIH Molecular Libraries Program [Internet]. Bethesda (MD): National Center for Biotechnology Information (US); 2010-. Available from http://www.ncbi.nlm.nih.gov/books/NBK280040/ PubMed PMID: 25834894.