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Purity: ≥98%
ML098 (also known as CID-7345532) is a potent activator of the GTP-binding protein Rab7 with an EC50 of 77.6 nM. It is hypothesized that these activators interact with GTPases by binding to an allosteric binding site located between switch regions I and II. It works by making the GTPases more receptive to guanine nucleotides. Based on these findings, the project proposes that these novel small activators should be useful in biochemical systems for the following purposes: (1) elucidating the mechanism by which GEF regulates GTPase activity; (2) characterizing GEF-GTPase protein interactions; (3) locating the crystal structure sites of GTPase regulation; and (4) offering a platform for the development of probes that can be employed to activate GTPase function.
Targets |
Rab7 ( EC50 = 77.6 nM )
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ln Vitro |
Key Points Compound mL098 (CID-7345532) acts by increasing the affinity of GTPases for guanine nucleotides, leading to the hypothesis that these activators respond to GTPases that bind to ML-098 located between switch regions I and II. It is an activator of the GTP-binding protein Rab7 with an EC50 of 77.6 nM and shows selectivity for the related GTPases cdc42, Ras, Rab-2A and Rac1 (EC50s = 588.8, 346.7, 158.5 and 794.3 nM respectively) [1].
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References |
Molecular Formula |
C19H19NO3
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Molecular Weight |
309.37
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Exact Mass |
309.14
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Elemental Analysis |
C, 73.77; H, 6.19; N, 4.53; O, 15.51
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CAS # |
878978-76-8
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Related CAS # |
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Appearance |
Solid powder
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SMILES |
CC1=CC(=C(C=C1)C)OCCN2C=C(C3=CC=CC=C32)C(=O)O
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InChi Key |
LILIWWFBJKBUCO-UHFFFAOYSA-N
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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)
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Chemical Name |
1-[2-(2,5-dimethylphenoxy)ethyl]indole-3-carboxylic acid
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Synonyms |
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HS Tariff Code |
2934.99.9001
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Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
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Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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Solubility (In Vitro) |
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Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (8.08 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (8.08 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.) |
Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
1 mM | 3.2324 mL | 16.1619 mL | 32.3238 mL | |
5 mM | 0.6465 mL | 3.2324 mL | 6.4648 mL | |
10 mM | 0.3232 mL | 1.6162 mL | 3.2324 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration: mg/mL;
Method for preparing DMSO stock solution: mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation::Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O,mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
High throughput screen identifies small molecule activators and inhibitors of Ras GTPase superfamily.PubMed PMID: 21433375. td> |
Effects of small molecule activator and inhibitor on Cdc42 GTP-binding, kinetics and in vitro Rac1 activation.PubMed PMID: 21433375. td> |
MLS000088004 has no effect tyrosine phosphorylation of Syk and ligand-stimulated β-hexosaminidase secretion of RBL cells.PubMed PMID: 21433375. td> |