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1mg |
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5mg |
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10mg |
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Other Sizes |
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ln Vitro |
In vitro action against C is demonstrated by VT-1598 (0.015-8 μg/mL; 24 h). auris[1]. Clinical Candida isolates' in vitro growth is significantly inhibited by VT-1598 (0.03125-0.125 μg/mL; 24 h)[2].
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ln Vivo |
In Act1-deficient mice infected with Candida albicans (C. albicans), treatment of electrodes with VT-1598 (oral gavage; 5, 15, and 50 mg/kg; once daily; 7 days) produced a dose-dependent survival advantage. Moreover, VT-1598 was paired with an electrode to reduce VT-1598 within the electrode ( Lateral gavage; 3.2, 8, and 20 mg/kg; once daily; 4 days) ductal and lingual fungal burden [1].
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Cell Assay |
Cell viability assay[2]
Cell Types: 28 Candida isolates obtained from mucosal sites of APECED patients Tested Concentrations: 0.03125-0.125 μg/mL Incubation Duration: 24 hrs (hours) Experimental Results: demonstrated effective in vitro activity against all 28 isolates (MIC range=0.03125-0.125 mg/L), with MIC50 and MIC90 values of 0.0625 and 0.125 respectively mg/L. |
Animal Protocol |
Animal/Disease Models: Mouse model of invasive candidiasis [1]
Doses: 5, 15, 50 mg/kg Route of Administration: po (oral gavage); present in large amounts [2]. one time/day; 7 days Experimental Results: Median survival was observed to be longer in the VT-1598 15 mg/kg and 50 mg/kg groups (15 days and >21 days, respectively) than in the control group. The observed renal fungal burden in mice treated with the 15 mg/kg and 50 mg/kg doses (mean log10 CFU/g, 5.40 and 3.67, respectively) was lower than that in the vehicle control group. After 7 days of treatment, the average trough concentration in the 5 mg/kg group was 1.55 μg/mL, the average trough concentration in the 15 mg/kg group was 6.78 μg/mL, and the average trough concentration in the 50 mg/kg group was 14.2 μg/mL. Animal/Disease Models: Act1-deficient mice infected with Candida albicans[2] Doses: 3.2, 8 and 20 mg/kg Route of Administration: po (oral gavage); one time/day; 4 days Experimental Results: Plasma and tongue of Candida-infected mice The concentration is very high. |
References |
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Molecular Formula |
C31H20F4N6O2
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Molecular Weight |
584.523119926453
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Exact Mass |
584.158
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CAS # |
2089320-99-8
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Related CAS # |
VT-1598 tosylate;2089321-00-4
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PubChem CID |
126715974
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Appearance |
Off-white to light yellow solid powder
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Density |
1.3±0.1 g/cm3
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Boiling Point |
770.9±70.0 °C at 760 mmHg
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Flash Point |
420.0±35.7 °C
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Vapour Pressure |
0.0±2.8 mmHg at 25°C
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Index of Refraction |
1.614
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LogP |
6.56
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Hydrogen Bond Donor Count |
1
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Hydrogen Bond Acceptor Count |
11
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Rotatable Bond Count |
10
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Heavy Atom Count |
43
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Complexity |
1030
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Defined Atom Stereocenter Count |
1
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SMILES |
C1=CC(=CC=C1COC2=CC=C(C=C2)C#CC3=CN=C(C=C3)C([C@](CN4C=NN=N4)(C5=C(C=C(C=C5)F)F)O)(F)F)C#N
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InChi Key |
UDGASIIGNCBLSI-PMERELPUSA-N
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InChi Code |
InChI=1S/C31H20F4N6O2/c32-25-10-13-27(28(33)15-25)30(42,19-41-20-38-39-40-41)31(34,35)29-14-9-23(17-37-29)4-1-21-7-11-26(12-8-21)43-18-24-5-2-22(16-36)3-6-24/h2-3,5-15,17,20,42H,18-19H2/t30-/m0/s1
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Chemical Name |
4-[[4-[2-[6-[(2R)-2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]pyridin-3-yl]ethynyl]phenoxy]methyl]benzonitrile
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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 : ~100 mg/mL (~171.08 mM)
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Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80: Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 :Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400  (Please use freshly prepared in vivo formulations for optimal results.) |
Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
1 mM | 1.7108 mL | 8.5540 mL | 17.1081 mL | |
5 mM | 0.3422 mL | 1.7108 mL | 3.4216 mL | |
10 mM | 0.1711 mL | 0.8554 mL | 1.7108 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.