| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg |
|
||
| 10mg |
|
||
| 50mg |
|
||
| 100mg |
|
||
| Other Sizes |
| Targets |
IL-17A 1.14 nM (IC50) IL-17A 0.66 μM (Kd)
Interleukin-17A (IL-17A), a pro-inflammatory cytokine produced primarily by Th17 cells, promotes the recruitment of neutrophils, induces the expression of inflammatory cytokines (e.g., IL-6, TNF-alpha) and chemokines (e.g., CXCL8, CCL20), and contributes to the pathogenesis of autoimmune diseases. |
|---|---|
| ln Vitro |
In vitro, IL-17A antagonist 1 (compound 1) is a potent inhibitor of IL-17A, demonstrating a binding affinity (Kd) of 0.66 uM and an inhibitory concentration (IC50) of 1.14 uM. It effectively modulates IL-17A signaling, reducing the production of pro-inflammatory cytokines in cell-based assays.
|
| ln Vivo |
No published in vivo data. Based on its in vitro binding affinity, IL-17A antagonist 1 would be expected to reduce IL-17A-mediated effects in vivo, such as attenuating skin inflammation in psoriasis models or reducing joint swelling in arthritis models, though this remains to be validated.
|
| Enzyme Assay |
A direct binding assay (e.g., surface plasmon resonance) is used to determine the Kd value. Recombinant human IL-17A is immobilized, and serially diluted antagonist 1 (0.01-100 uM) is flowed over. The Kd is calculated from the association/dissociation rates. An AlphaLISA or ELISA-based competition assay may also be used.
|
| Cell Assay |
For in vitro cellular assays, human dermal fibroblasts or keratinocytes are seeded in 96-well plates. Cells are pre-incubated with serially diluted antagonist 1 (0.1-100 uM) for 1 hour, then stimulated with recombinant human IL-17A (10 ng/mL) for 24 hours. Supernatants are collected, and CXCL8 (IL-8) or CCL20 levels are measured by ELISA. The IC50 is calculated from the dose-response curve.
|
| Animal Protocol |
No published in vivo data. For research use, the imiquimod (IMQ)-induced psoriasis-like mouse model is used. BALB/c mice are treated topically with IMQ cream on the shaved back for 5-7 days. IL-17A antagonist 1 is administered orally or intraperitoneally at 10-50 mg/kg daily. PASI scores (erythema, scaling, thickness) are recorded daily. On day 5-7, skin biopsies are taken for histopathological analysis and cytokine measurement by qPCR or ELISA.
|
| ADME/Pharmacokinetics |
IL-17A antagonist 1 (compound 1) has a molecular weight of 604.71 g/mol and a formula of C33H41FN6O4. DMSO solubility is high. Detailed PK parameters (e.g., half-life, oral bioavailability) are not publicly available; as a small molecule, PK properties will depend on formulation and administration route, with oral bioavailability likely moderate.
|
| Toxicity/Toxicokinetics |
Detailed toxicological data are not publicly available. As a small-molecule IL-17A antagonist, potential toxicities may include increased susceptibility to infections (consistent with IL-17A blockade) and gastrointestinal disturbances. No severe toxicities have been reported in research models.
|
| References | |
| Additional Infomation |
IL-17A antagonist 1 (compound 1) is a research compound not approved for clinical use. It is used to study the role of IL-17A in inflammatory responses and autoimmune disorders. It is a tool compound for investigating the therapeutic potential of small-molecule IL-17A antagonism as an alternative to injectable biologics.
|
| Molecular Formula |
C33H41FN6O4
|
|---|---|
| Molecular Weight |
604.71
|
| Exact Mass |
604.317
|
| CAS # |
2205034-18-8
|
| PubChem CID |
121499148
|
| Appearance |
White to off-white solid powder
|
| Density |
1.3±0.1 g/cm3
|
| Boiling Point |
914.1±65.0 °C at 760 mmHg
|
| Flash Point |
506.6±34.3 °C
|
| Vapour Pressure |
0.0±0.3 mmHg at 25°C
|
| Index of Refraction |
1.610
|
| LogP |
1.5
|
| Hydrogen Bond Donor Count |
3
|
| Rotatable Bond Count |
13
|
| Heavy Atom Count |
44
|
| Complexity |
981
|
| Defined Atom Stereocenter Count |
1
|
| SMILES |
CN1C(=CC=N1)C(=O)N[C@@H](CC2=CC=CC=C2F)C(=O)NC3=CC=C(C=C3)CCNC(=O)CC4(CCCC4)CC(=O)N(C)C
|
| InChi Key |
VWRXSIAIHJZTCV-MHZLTWQESA-N
|
| InChi Code |
InChI=1S/C33H41FN6O4/c1-39(2)30(42)22-33(16-6-7-17-33)21-29(41)35-18-14-23-10-12-25(13-11-23)37-31(43)27(20-24-8-4-5-9-26(24)34)38-32(44)28-15-19-36-40(28)3/h4-5,8-13,15,19,27H,6-7,14,16-18,20-22H2,1-3H3,(H,35,41)(H,37,43)(H,38,44)/t27-/m0/s1
|
| Chemical Name |
N-[(2S)-1-[4-[2-[[2-[1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl]acetyl]amino]ethyl]anilino]-3-(2-fluorophenyl)-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
|
| 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: 41.67 mg/mL (68.91 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.13 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 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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 2: ≥ 2.08 mg/mL (3.44 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 20.8 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. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (3.44 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.6537 mL | 8.2684 mL | 16.5369 mL | |
| 5 mM | 0.3307 mL | 1.6537 mL | 3.3074 mL | |
| 10 mM | 0.1654 mL | 0.8268 mL | 1.6537 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
