| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| 50mg | |||
| 100mg | |||
| Other Sizes |
| Targets |
RNA polymerase in nontuberculous mycobacteria (NTM).
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|---|---|
| ln Vitro |
MMV688845 is able to impede M. abscessus ATCC 19977 has a MIC value of 9.3 μM in a dose-dependent manner.
MMV688845 dose-dependently inhibits the growth of M. abscessus (ATCC 19977) with a minimum inhibitory concentration (MIC) of 9.3 uM. |
| ln Vivo |
In vivo activity has been demonstrated in mouse models of tuberculosis, showing efficacy against Mycobacterium tuberculosis.
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| Enzyme Assay |
Not fully detailed in available sources; typically, RNA polymerase binding assays are performed using purified bacterial RNA polymerase enzyme with radiolabeled substrates to measure transcription inhibition under cell-free conditions.
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| Cell Assay |
Not fully detailed in available sources; typically, mycobacterial growth inhibition assays are performed in 7H9 broth medium using the microplate Alamar Blue assay (MABA) method, with bacterial cultures incubated with serial compound dilutions for 3-7 days followed by fluorescence reading to determine MIC values.
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| Animal Protocol |
Typically, mouse models of tuberculosis infection are used, where mice are infected with Mycobacterium tuberculosis via aerosol route, then treated daily with oral or intraperitoneal administration of MMV688845 for several weeks; endpoints include lung bacterial load and survival rate.
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| ADME/Pharmacokinetics |
Standard PK parameters have not been fully detailed in available sources; based on its chemical properties, permeability and moderate bioavailability are expected; further ADME studies are needed to determine its half-life, plasma clearance, and tissue distribution.
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| Toxicity/Toxicokinetics |
Toxicological profile not fully described; as an experimental compound not yet in clinical trials, safety assessments (including acute and repeat-dose toxicity in animal models) are still under investigation; currently used only for research purposes.
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| References |
[1]. Jinsun Jeong, et al. Pathogen Box screening for hit identification against Mycobacterium abscessus. PLoS One. 2018 Apr 26;13(4):e0195595.
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| Additional Infomation |
MMV688845 ((R)-GSK1729177A) is an experimental RNA polymerase inhibitor developed as a potential treatment for tuberculosis and nontuberculous mycobacterial infections; it is still in preclinical research stage and has not been approved for clinical use; no phase I/II/III clinical trials have been registered to date.
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| Molecular Formula |
C24H25N3O3S
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|---|---|
| Molecular Weight |
435.53860449791
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| Exact Mass |
435.16
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| Elemental Analysis |
C, 66.19; H, 5.79; N, 9.65; O, 11.02; S, 7.36
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| CAS # |
2208962-35-8
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| PubChem CID |
122196547
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| Appearance |
Solid powder
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| LogP |
3.9
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
31
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| Complexity |
593
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| Defined Atom Stereocenter Count |
1
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| SMILES |
C1(C(N[C@H](CC2=CC=CC=C2)C(NC2=CC=CC=C2N2CCOCC2)=O)=O)SC=CC=1
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| InChi Key |
YZLODHPDCSNHTP-HXUWFJFHSA-N
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| InChi Code |
InChI=1S/C24H25N3O3S/c28-23(25-19-9-4-5-10-21(19)27-12-14-30-15-13-27)20(17-18-7-2-1-3-8-18)26-24(29)22-11-6-16-31-22/h1-11,16,20H,12-15,17H2,(H,25,28)(H,26,29)/t20-/m1/s1
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| Chemical Name |
N-[(2R)-1-(2-morpholin-4-ylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
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| Synonyms |
MMV688845; MMV-688845; MMV 688845
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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: ~250 mg/mL (~574.0 mM; with ultrasonication)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 6.25 mg/mL (14.35 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 DMSO stock solution (62.5 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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: ≥ 6.25 mg/mL (14.35 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 DMSO stock solution (62.5 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.2960 mL | 11.4800 mL | 22.9600 mL | |
| 5 mM | 0.4592 mL | 2.2960 mL | 4.5920 mL | |
| 10 mM | 0.2296 mL | 1.1480 mL | 2.2960 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.
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