| Size | Price | |
|---|---|---|
| 500mg | ||
| 1g | ||
| Other Sizes |
| ln Vitro |
In CHO cells, ACT-777991 suppresses hEGR with an IC50 value of 26 μM[1]. The drug ACT-777991 (1 μM; 45 min) exhibits stability in hepatocytes and microsomes from dogs, humans, and scaffolds. Mouse T cell movement toward CXCL11 is inhibited and activated by 777991 (0.01-1 μM), with IC50 ranges of 3.2-64 nM and 4.9-21 nM, respectively [1]. CXCR3-induced mouse T cell chemotaxis is inhibited by ACT-777991 (1 nM, 5 nM, 20 nM, and 50 nM) [1].
|
|---|---|
| ln Vivo |
ACT-777991 (0.5 mg/kg, 1 mg/kg; i.v.; single dosage) exhibited low mid-vessel clarity in a cohort of Wistar stents (14/156) or Beagle dogs (5/15) [1] . ACT-777991 (0.006-2 mg/g meal; sidewall; starts 3 days before LPS treatment and stops 72 hours after LPS treatment) replicates the chemotaxis of CXCR3+ T cells in the model [1]
|
| Animal Protocol |
Animal/Disease Models: Mouse LPS challenge model [1]
Doses: 0.006, 0.02, 0.06, 0.2, 0.6, 2 mg per g of food Route of Administration: PO;. Beginning 3 days before LPS challenge and continuing until the end of the study (72 hrs (hrs (hours)) after LPS challenge) Experimental Results: Reduction in the number of BAL CD8+ T cells in a dose-dependent manner. |
| References |
| Molecular Formula |
C20H20F6N8O2S
|
|---|---|
| Molecular Weight |
550.480622291565
|
| Exact Mass |
550.133
|
| CAS # |
1967811-46-6
|
| PubChem CID |
121485701
|
| Appearance |
White to off-white solid powder
|
| LogP |
2.5
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
15
|
| Rotatable Bond Count |
6
|
| Heavy Atom Count |
37
|
| Complexity |
787
|
| Defined Atom Stereocenter Count |
1
|
| SMILES |
CC1=NN(C=N1)CC(=O)N2CCN(C[C@H]2CCO)C3=C(N=C(S3)C(F)(F)F)C4=CN=C(N=C4)C(F)(F)F
|
| InChi Key |
FDZFVXKCJKOSRC-CYBMUJFWSA-N
|
| InChi Code |
InChI=1S/C20H20F6N8O2S/c1-11-29-10-33(31-11)9-14(36)34-4-3-32(8-13(34)2-5-35)16-15(30-18(37-16)20(24,25)26)12-6-27-17(28-7-12)19(21,22)23/h6-7,10,13,35H,2-5,8-9H2,1H3/t13-/m1/s1
|
| Chemical Name |
1-[(2R)-2-(2-hydroxyethyl)-4-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-5-yl]piperazin-1-yl]-2-(3-methyl-1,2,4-triazol-1-yl)ethanone
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
DMSO: ~100 mg/mL (~181.7 mM; with ultrasonication)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.54 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 (25.0 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: ≥ 2.5 mg/mL (4.54 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 (25.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (4.54 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 (25.0 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 | 1.8166 mL | 9.0830 mL | 18.1660 mL | |
| 5 mM | 0.3633 mL | 1.8166 mL | 3.6332 mL | |
| 10 mM | 0.1817 mL | 0.9083 mL | 1.8166 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
Copyright 2020 InvivoChem LLC | All Rights Reserved
