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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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Purity: ≥98%
ML349 (ML-349) is a novel, potent, reversible, highly selective and specific acyl protein thioesterase 2 (APT-2) inhibitor with a Ki of 120 nM. ML349 is also an inhibitor of LYPLA2 with an IC50 of 144 nM. Although ML349 is highly selective within the serine hydrolase enzyme family, it could still interact with other cellular targets. In human cell lysates, biotinylated-ML349 enriches a recurring set of proteins, including metabolite kinases and flavin-dependent oxidoreductases that are potentially enhanced by avidity-driven multimeric interactions. ML349 achieves target engagement and hydrolase selectivity in living mice.
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|---|---|---|
| ln Vitro |
ML349 inhibits acyl protein thioesterase 1 and 2 (APT-1 and APT-2) with a Kis of >10000 and 120±20 nM, in that order[1]. Additionally, ML349 inhibits LYPLA1 and LYPLA2, with IC50 values of > 3000 and 144 nM, respectively[2]. ML348 and ML349 cause a slight activation of AKT in NRAS mutant cells, but they do not reduce cell viability[3].
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| Cell Assay |
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| References |
| Molecular Formula |
C23H22N2O4S2
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|---|---|
| Molecular Weight |
454.561783313751
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| Exact Mass |
454.102
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| CAS # |
890819-86-0
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| PubChem CID |
16193817
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| Appearance |
White to yellow solid powder
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| LogP |
3.4
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
31
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| Complexity |
754
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1(=CC2=C(C3=CC=CC=C3S(=O)(C2)=O)S1)C(N1CCN(C2C=CC(=CC=2)OC)CC1)=O
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| InChi Key |
JIFSCAIWCCQTRF-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C23H24N2O4S2/c1-29-18-8-6-17(7-9-18)24-10-12-25(13-11-24)23(26)20-14-16-15-31(27,28)21-5-3-2-4-19(21)22(16)30-20/h2-9,14,16,22H,10-13,15H2,1H3
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| Chemical Name |
(5,5-dioxido-3a,9b-dihydro-4H-thieno[3,2-c]thiochromen-2-yl)(4-(4-methoxyphenyl)piperazin-1-yl)methanone
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| Synonyms |
ML-349; ML349; ML 349.
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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 |
| 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) |
DMSO : ~20 mg/mL (~44.00 mM)
H2O : < 0.1 mg/mL |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 2 mg/mL (4.40 mM) in 10% DMSO + 40% PEG300 +5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.0 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.1999 mL | 10.9996 mL | 21.9993 mL | |
| 5 mM | 0.4400 mL | 2.1999 mL | 4.3999 mL | |
| 10 mM | 0.2200 mL | 1.1000 mL | 2.1999 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.
Products are for research use only; We do not sell to patients
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