ML-098
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MedKoo CAT#: 526654

CAS#: 878978-76-8

Description: ML-098, also known as CID-7345532, is an activator of the GTP-binding protein Rab7 (EC50 = 77.6 nM). ML098 (CID-7345532) functions by increasing the affinity of the GTPases for guanine nucleotides, leading to the hypothesis that these activators interact with GTPases bind to an allosteric binding site localized between switch regions I and II. .


Chemical Structure

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ML-098
CAS# 878978-76-8

Theoretical Analysis

MedKoo Cat#: 526654
Name: ML-098
CAS#: 878978-76-8
Chemical Formula: C19H19NO3
Exact Mass: 309.14
Molecular Weight: 309.365
Elemental Analysis: C, 73.77; H, 6.19; N, 4.53; O, 15.51

Price and Availability

Size Price Availability Quantity
25mg USD 150 Ready to ship
50mg USD 250 Ready to ship
100mg USD 450 Ready to ship
200mg USD 650 Ready to ship
500mg USD 850 Ready to ship
1g USD 1250 Ready to ship
2g USD 2150 Ready to ship
5g USD 3850 2 weeks
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Synonym: ML-098; ML 098; ML098; CID-7345532; CID 7345532; CID7345532.

IUPAC/Chemical Name: 1-(2-(2,5-dimethylphenoxy)ethyl)-1H-indole-3-carboxylic acid

InChi Key: LILIWWFBJKBUCO-UHFFFAOYSA-N

InChi Code: InChI=1S/C19H19NO3/c1-13-7-8-14(2)18(11-13)23-10-9-20-12-16(19(21)22)15-5-3-4-6-17(15)20/h3-8,11-12H,9-10H2,1-2H3,(H,21,22)

SMILES Code: O=C(C1=CN(CCOC2=CC(C)=CC=C2C)C3=C1C=CC=C3)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, not in water

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: ML-098 (CID-7345532) is an activator of the GTP-binding protein Rab7 with an EC50 of 77.6 nM. The papillary thyroid carcinoma cell line TPC-1 was cultured, and the cells were divided into control group, the 1,25-(OH)2D3 group, and the 1,25-(OH)2D3 + ML098 (Ras agonist) group.
In vitro activity: The objective of this study was to explore the effects of 1,25-dihydroxy vitamin D3 [1,25-(OH)2D3] on the proliferation and apoptosis of papillary thyroid carcinoma and to investigate its possible mechanism. Compared with the drug group, the cloning and migration biological activity of cells in the 1,25-(OH)2D3 + ML-098 group was significantly enhanced (p < 0.05). The assay results showed that 1,25-(OH)2D3 could reduce the activity of the Ras-MEK-ERK pathway. To further verify this effect, we added Ras agonist (ML-098) treatment and observed the above indicators again. The ability of cell proliferation, colony formation, and migration in 1,25-(OH)2D3 + ML-098 group was increased in contrast to the 1,25-(OH)2D3 group, and the number of apoptotic cells was decreased. The expression of Ki67 protein was increased, while the expression of Caspase-3 protein was decreased (p < 0.05). The anticancer effect of the drug was reversed by ML-098. Moreover, the expression level of Ras was upregulated in 1,25-(OH)2D3 + ML-098 group than in the 1,25-(OH)2D3 group, the phosphorylation level of p-ERK1/2 and p-MEK was increased and the effect of 1,25-(OH)2D3 on the Ras-MEK-ERK pathway was reversed by ML-098 (p < 0.05). Steroids. 2020 Jul;159:108585. https://pubmed.ncbi.nlm.nih.gov/31982425/
In vivo activity: TBD

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 53.0 171.45

Preparing Stock Solutions

The following data is based on the product molecular weight 309.37 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 B, Lv L, Li W. 1,25-Dihydroxy vitamin D3 inhibits the Ras-MEK-ERK pathway and regulates proliferation and apoptosis of papillary thyroid carcinoma. Steroids. 2020 Jul;159:108585. doi: 10.1016/j.steroids.2020.108585. Epub 2020 Jan 23. PMID: 31982425. 2. Surviladze Z, Ursu O, Miscioscia F, Curpan R, Halip L, Bologa C, Oprea T, Waller A, Strouse J, Salas V, Wu Y, Edwards B, Wandinger-Ness A, Sklar L. Three small molecule pan activator families of Ras-related GTPases. 2009 May 18 [updated 2010 Sep 2]. In: Probe Reports from the NIH Molecular Libraries Program [Internet]. Bethesda (MD): National Center for Biotechnology Information (US); 2010–. PMID: 21433375.
In vitro protocol: 1. Li B, Lv L, Li W. 1,25-Dihydroxy vitamin D3 inhibits the Ras-MEK-ERK pathway and regulates proliferation and apoptosis of papillary thyroid carcinoma. Steroids. 2020 Jul;159:108585. doi: 10.1016/j.steroids.2020.108585. Epub 2020 Jan 23. PMID: 31982425. 2. Surviladze Z, Ursu O, Miscioscia F, Curpan R, Halip L, Bologa C, Oprea T, Waller A, Strouse J, Salas V, Wu Y, Edwards B, Wandinger-Ness A, Sklar L. Three small molecule pan activator families of Ras-related GTPases. 2009 May 18 [updated 2010 Sep 2]. In: Probe Reports from the NIH Molecular Libraries Program [Internet]. Bethesda (MD): National Center for Biotechnology Information (US); 2010–. PMID: 21433375.
In vivo protocol: TBD

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1: Surviladze Z, Ursu O, Miscioscia F, Curpan R, Halip L, Bologa C, Oprea T,
Waller A, Strouse J, Salas V, Wu Y, Edwards B, Wandinger-Ness A, Sklar L. Three
small molecule pan activator families of Ras-related GTPases. 2009 May 18
[updated 2010 Sep 2]. 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/NBK47359/
PubMed PMID: 21433375.