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MedKoo Cat#: 464140 | Name: ML-145
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Description:

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

ML-145 is a GPR35 antagonist.

Chemical Structure

ML-145
ML-145
CAS#1164500-72-4

Theoretical Analysis

MedKoo Cat#: 464140

Name: ML-145

CAS#: 1164500-72-4

Chemical Formula: C24H22N2O5S2

Exact Mass: 482.0970

Molecular Weight: 482.57

Elemental Analysis: C, 59.74; H, 4.60; N, 5.81; O, 16.58; S, 13.29

Price and Availability

Size Price Availability Quantity
10mg USD 550.00 2 Weeks
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Related CAS #
No Data
Synonym
ML-145; ML145; ML 145;
IUPAC/Chemical Name
2-hydroxy-4-(4-((Z)-5-((E)-2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamido)benzoic acid
InChi Key
COFMYJWNXSFLKQ-QIROLCGISA-N
InChi Code
InChI=1S/C24H22N2O5S2/c1-15(12-16-6-3-2-4-7-16)13-20-22(29)26(24(32)33-20)11-5-8-21(28)25-17-9-10-18(23(30)31)19(27)14-17/h2-4,6-7,9-10,12-14,27H,5,8,11H2,1H3,(H,25,28)(H,30,31)/b15-12+,20-13-
SMILES Code
CC(/C=C1SC(N(CCCC(NC2=CC=C(C(O)=O)C(O)=C2)=O)C\1=O)=S)=C\C3=CC=CC=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:
ML 145 is a selective and competitive human GPR35/CXCR8 antagonist with an IC50/EC50 of 20.1 nM.
In vitro activity:
To further investigate whether GPR35 is involved in BFT (Bacteroides fragilis (ETBF) toxin) signaling, this study pretreated HT29/c1 cells (30 min) with 20 µM ML145 followed by incubation with BFT to determine morphological changes, E-cadherin cleavage, and IL-8 secretion. BFT-induced morphological changes were significantly reduced for up to 3 h by treatment with the inhibitor ML145 (1.92 ± 1.01, cell morphology score, see “Methods”) when compared to treatment with BFT alone (3.17 ± 0.14 two-way ANOVA P = 0.023 (1 h) and P = 0.015 (3 h) N = 3) (Fig. 2a, b). Reduced cell morphological change by ML145 correlated with a decrease in the release of the 80-kDa extracellular domain of E-cadherin from HT29/c1 cells when compared to cells treated with BFT alone (3.2-fold vs 12.2-fold (P < 0.01, N = 3), respectively) (Fig. 2c). Reference: Commun Biol. 2021 May 14;4(1):585. https://pubmed.ncbi.nlm.nih.gov/33990686/
In vivo activity:
This study tested the hypothesis that GPR35 exists in the hippocampus and influences the neuronal activity. To determine the presence of functional GPR35 in the neurocircuitry, this study tested the effects of various GPR35 agonists on the frequency of spontaneous action potentials recorded as fast current transients (CTs) from stratum radiatum interneurons (SRIs) under cell-attached configuration in rat hippocampal slices. Superfusion of the rat hippocampal slices with the GPR35 antagonist ML145 (1 μM) increased the frequency of CTs and reduced the inhibitory effect of zaprinast. Reference: Biochem Pharmacol. 2015 Feb 15;93(4):506-18. https://pubmed.ncbi.nlm.nih.gov/25542997/
Solvent mg/mL mM comments
Solubility
DMSO 49.1 101.81
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 482.57 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. Boleij A, Fathi P, Dalton W, Park B, Wu X, Huso D, Allen J, Besharati S, Anders RA, Housseau F, Mackenzie AE, Jenkins L, Milligan G, Wu S, Sears CL. G-protein coupled receptor 35 (GPR35) regulates the colonic epithelial cell response to enterotoxigenic Bacteroides fragilis. Commun Biol. 2021 May 14;4(1):585. doi: 10.1038/s42003-021-02014-3. PMID: 33990686; PMCID: PMC8121840. 2. Alkondon M, Pereira EF, Todd SW, Randall WR, Lane MV, Albuquerque EX. Functional G-protein-coupled receptor 35 is expressed by neurons in the CA1 field of the hippocampus. Biochem Pharmacol. 2015 Feb 15;93(4):506-18. doi: 10.1016/j.bcp.2014.12.009. Epub 2014 Dec 24. PMID: 25542997. 3. Jenkins L, Harries N, Lappin JE, MacKenzie AE, Neetoo-Isseljee Z, Southern C, McIver EG, Nicklin SA, Taylor DL, Milligan G. Antagonists of GPR35 display high species ortholog selectivity and varying modes of action. J Pharmacol Exp Ther. 2012 Dec;343(3):683-95. doi: 10.1124/jpet.112.198945. Epub 2012 Sep 11. PMID: 22967846; PMCID: PMC3500541.
In vitro protocol:
1. Boleij A, Fathi P, Dalton W, Park B, Wu X, Huso D, Allen J, Besharati S, Anders RA, Housseau F, Mackenzie AE, Jenkins L, Milligan G, Wu S, Sears CL. G-protein coupled receptor 35 (GPR35) regulates the colonic epithelial cell response to enterotoxigenic Bacteroides fragilis. Commun Biol. 2021 May 14;4(1):585. doi: 10.1038/s42003-021-02014-3. PMID: 33990686; PMCID: PMC8121840.
In vivo protocol:
1. Alkondon M, Pereira EF, Todd SW, Randall WR, Lane MV, Albuquerque EX. Functional G-protein-coupled receptor 35 is expressed by neurons in the CA1 field of the hippocampus. Biochem Pharmacol. 2015 Feb 15;93(4):506-18. doi: 10.1016/j.bcp.2014.12.009. Epub 2014 Dec 24. PMID: 25542997. 2. Jenkins L, Harries N, Lappin JE, MacKenzie AE, Neetoo-Isseljee Z, Southern C, McIver EG, Nicklin SA, Taylor DL, Milligan G. Antagonists of GPR35 display high species ortholog selectivity and varying modes of action. J Pharmacol Exp Ther. 2012 Dec;343(3):683-95. doi: 10.1124/jpet.112.198945. Epub 2012 Sep 11. PMID: 22967846; PMCID: PMC3500541.
1: Binti Mohd Amir NAS, Mackenzie AE, Jenkins L, Boustani K, Hillier MC, Tsuchiya T, Milligan G, Pease JE. Evidence for the Existence of a CXCL17 Receptor Distinct from GPR35. J Immunol. 2018 Jul 15;201(2):714-724. doi: 10.4049/jimmunol.1700884. Epub 2018 Jun 6. PMID: 29875152; PMCID: PMC6036231. 2: McCallum JE, Mackenzie AE, Divorty N, Clarke C, Delles C, Milligan G, Nicklin SA. G-Protein-Coupled Receptor 35 Mediates Human Saphenous Vein Vascular Smooth Muscle Cell Migration and Endothelial Cell Proliferation. J Vasc Res. 2015;52(6):383-95. doi: 10.1159/000444754. Epub 2016 Apr 12. PMID: 27064272; PMCID: PMC4959467. 3: Alkondon M, Pereira EF, Todd SW, Randall WR, Lane MV, Albuquerque EX. Functional G-protein-coupled receptor 35 is expressed by neurons in the CA1 field of the hippocampus. Biochem Pharmacol. 2015 Feb 15;93(4):506-18. doi: 10.1016/j.bcp.2014.12.009. Epub 2014 Dec 24. PMID: 25542997. 4: Neetoo-Isseljee Z, MacKenzie AE, Southern C, Jerman J, McIver EG, Harries N, Taylor DL, Milligan G. High-throughput identification and characterization of novel, species-selective GPR35 agonists. J Pharmacol Exp Ther. 2013 Mar;344(3):568-78. doi: 10.1124/jpet.112.201798. Epub 2012 Dec 21. PMID: 23262279; PMCID: PMC3583504. 5: Jenkins L, Harries N, Lappin JE, MacKenzie AE, Neetoo-Isseljee Z, Southern C, McIver EG, Nicklin SA, Taylor DL, Milligan G. Antagonists of GPR35 display high species ortholog selectivity and varying modes of action. J Pharmacol Exp Ther. 2012 Dec;343(3):683-95. doi: 10.1124/jpet.112.198945. Epub 2012 Sep 11. PMID: 22967846; PMCID: PMC3500541. 6: Heynen-Genel S, Dahl R, Shi S, Sauer M, Hariharan S, Sergienko E, Dad S, Chung TDY, Stonich D, Su Y, Zhao P, Caron MG, Abood ME, Barak LS. Selective GPR35 Antagonists - Probe 3. 2011 Mar 29 [updated 2011 Nov 21]. In: Probe Reports from the NIH Molecular Libraries Program [Internet]. Bethesda (MD): National Center for Biotechnology Information (US); 2010–. PMID: 22834041. 7: Heynen-Genel S, Dahl R, Shi S, Sauer M, Hariharan S, Sergienko E, Dad S, Chung TDY, Stonich D, Su Y, Caron M, Zhao P, Abood ME, Barak LS. Selective GPR35 Antagonists - Probes 1 & 2. 2010 Feb 28 [updated 2010 Oct 4]. In: Probe Reports from the NIH Molecular Libraries Program [Internet]. Bethesda (MD): National Center for Biotechnology Information (US); 2010–. PMID: 21433393.