| Size | Price | |
|---|---|---|
| 500mg | ||
| 1g | ||
| Other Sizes |
| ln Vitro |
VVD-118313 (Compound 5a), comprising C817 as buffer JAK1 and C838 as buffer JAK2, is 0.01–10 μM, three hours, and primary human PBMC. In 22Rv1 cells expressing WT or C810A-JAK1, VVD-118313 (2 µM, 2 h) inhibits IL-6-stimulated STAT3 phosphorylation and IFNα-mimicking STAT1. Additionally, VVD-118313 inhibits wild-type JAK1 and 1]. In human PBMCs, VVD-118313 (0.01-10 μM) biased the suppression of JAK1 signaling activation. VVD-118313 Fluorescent T cell activation induction (0.1-0.4 μM; 24 h). By decreasing the percentage of CD25+ T cells, VVD-118313 fluoresces the activation of human T cells costimulated with αCD3/αCD28. In apoptosis, VVD-118313 foams the Th1 cytokine IFNγ and boosts IL-2 production [1]. The production of certain pro-inflammatory cytokines and chemokines, including as CCL2/MCP-1, CXCL10/IP-10, and CCL4/MIP-1β, is inhibited by VVD-118313 (0.1-0.5 μM; 2 h)[1].
|
|---|---|
| ln Vivo |
VVD-118313 (Compound 5a; 25-50 mg/kg; subcutaneous injection; single dosage) suppresses JAK1 signaling in TYK2 knockout mice [1].
|
| Cell Assay |
Western Blot Analysis[1]
Cell Types: 22Rv1 Cell Tested Concentrations: 0.01, 0.1 and 1 μM Incubation Duration: 2 hrs (hours) Experimental Results: Shows labeling for recombinant WT-JAK1 and C810A-JAK1, but not C817A-JAK1. Inhibits WT- and C810A-JAK1 phosphorylation even more potently than STAT1/STAT3 phosphorylation. |
| References |
| Molecular Formula |
C19H22CL2N2O3S
|
|---|---|
| Molecular Weight |
429.36
|
| Exact Mass |
428.072
|
| CAS # |
2875046-31-2
|
| Related CAS # |
VVD-118313;2875046-27-6
|
| PubChem CID |
168446364
|
| Appearance |
White to off-white solid powder
|
| LogP |
3.3
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
2
|
| Heavy Atom Count |
27
|
| Complexity |
724
|
| Defined Atom Stereocenter Count |
2
|
| SMILES |
C(N1CCC[C@H](C2C=CC(=C(C=2)Cl)Cl)C1)(=O)C#C[C@H]1CCN(C1)S(=O)(=O)C
|
| InChi Key |
OUPVMVHXMWBFDP-HOCLYGCPSA-N
|
| InChi Code |
InChI=1S/C19H22Cl2N2O3S/c1-27(25,26)23-10-8-14(12-23)4-7-19(24)22-9-2-3-16(13-22)15-5-6-17(20)18(21)11-15/h5-6,11,14,16H,2-3,8-10,12-13H2,1H3/t14-,16-/m0/s1
|
| Chemical Name |
1-[(3R)-3-(3,4-dichlorophenyl)piperidin-1-yl]-3-[(3R)-1-methylsulfonylpyrrolidin-3-yl]prop-2-yn-1-one
|
| 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 (~232.90 mM)
|
|---|---|
| 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 | 2.3290 mL | 11.6452 mL | 23.2905 mL | |
| 5 mM | 0.4658 mL | 2.3290 mL | 4.6581 mL | |
| 10 mM | 0.2329 mL | 1.1645 mL | 2.3290 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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