| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 500mg | |||
| Other Sizes |
| Targets |
NLRP3 inflammasome
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|---|---|
| ln Vivo |
Research on mouse APCs (DCs and macrophages) identifies QS-21 as an activator of the NLRP3 inflammasome, which in turn triggers the release of the proinflammatory cytokine IL-1β/IL-18 that is dependent on caspase-1 and promotes the maturation of Th 17 cells or INF-γ-mediated Th1 responses [3].
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| References |
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| Additional Infomation |
QS-21 is an investigational adjuvant added to vaccines and other immunotherapies to enhance the body's immune response to antigens contained in the treatment. It is a major member of the Stimulon adjuvant family. Antigenics is currently conducting clinical trials to evaluate it as a vaccine additive in multiple disease areas. Stimulon is reportedly found in the soap tree (Quillaja saponaria), and data exist on this. QS-21 is a purified natural saponin isolated from the bark of the soap tree (Quillaja saponaria Molina) and possesses potential immunoadjuvant activity. When used in combination with vaccine peptides, QS-21 can enhance total antitumor vaccine-specific antibody responses and cytotoxic T-cell responses. See also: Obi-821 (partial composition).
Drug Indications Studied for the treatment of genital herpes, HIV infection, hepatitis (viral, hepatitis B), influenza, malaria, melanoma, and viral infections. Mechanism of Action QS-21 has the potential to enhance total vaccine-specific antibody responses and T-cell responses. Furthermore, QS-21 appears to improve vaccine efficacy with relatively small amounts of antigen and exhibits synergistic effects with other adjuvants. Because QS-21 can enhance the body's immune response to very low doses of antigen, it can "save" vaccine antigen, thereby significantly reducing the amount of antigen required for a given dose and making vaccine production more economical.Mechanism of Action |
| Molecular Formula |
C92H148O46
|
|---|---|
| Molecular Weight |
1990.13192g/mol
|
| Exact Mass |
1988.924
|
| CAS # |
141256-04-4
|
| PubChem CID |
73652135
|
| Appearance |
White to light yellow solid powder
|
| LogP |
-2.4
|
| Hydrogen Bond Donor Count |
23
|
| Hydrogen Bond Acceptor Count |
46
|
| Rotatable Bond Count |
38
|
| Heavy Atom Count |
138
|
| Complexity |
4100
|
| Defined Atom Stereocenter Count |
51
|
| SMILES |
CC[C@H](C)[C@H](C[C@@H](CC(=O)O[C@@H](C[C@@H](CC(=O)O[C@H]1[C@H](O[C@H]([C@@H]([C@H]1O)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O[C@H]3[C@@H]([C@H]([C@@H](CO3)O)O[C@H]4[C@@H]([C@](CO4)(CO)O)O)O)O)O)OC(=O)[C@]56CCC(C[C@H]5C7=CC[C@@H]8[C@]9(CC[C@@H]([C@@]([C@@H]9CC[C@]8([C@@]7(C[C@H]6O)C)C)(C)C=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C)(C)C)C)O)[C@@H](C)CC)O)O[C@H]1[C@@H]([C@H]([C@@H](O1)CO)O)O
|
| InChi Key |
DRHZYJAUECRAJM-DWSYSWFDSA-N
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| InChi Code |
InChI=1S/C92H148O46/c1-13-36(3)46(126-54(102)25-41(98)24-47(37(4)14-2)127-80-62(110)58(106)49(30-94)128-80)23-40(97)26-55(103)131-69-39(6)125-82(73(65(69)113)136-79-64(112)60(108)68(38(5)124-79)132-78-67(115)70(45(100)32-122-78)133-84-75(116)91(120,34-96)35-123-84)138-85(119)92-22-21-86(7,8)27-43(92)42-15-16-51-87(9)19-18-53(88(10,33-95)50(87)17-20-89(51,11)90(42,12)28-52(92)101)130-83-74(137-81-63(111)59(107)57(105)48(29-93)129-81)71(66(114)72(135-83)76(117)118)134-77-61(109)56(104)44(99)31-121-77/h15,33,36-41,43-53,56-75,77-84,93-94,96-101,104-116,120H,13-14,16-32,34-35H2,1-12H3,(H,117,118)/t36-,37-,38-,39+,40-,41-,43-,44+,45+,46-,47-,48+,49-,50+,51+,52+,53-,56-,57-,58-,59-,60-,61+,62+,63+,64+,65-,66-,67+,68-,69-,70-,71-,72-,73+,74+,75-,77-,78-,79-,80+,81-,82-,83+,84-,87-,88-,89+,90+,91+,92+/m0/s1
|
| Chemical Name |
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-5-[(3S,5S,6S)-5-[(3S,5S,6S)-5-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-hydroxy-6-methyloctanoyl]oxy-4-hydroxy-6-methyloxan-2-yl]oxycarbonyl-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
|
| 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)
|
| Solubility (In Vitro) |
DMSO: 100 mg/mL (50.25 mM)
H2O: 50 mg/mL (25.12 mM) |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (1.26 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 25.0 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. Solubility in Formulation 2: ≥ 2.5 mg/mL (1.26 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (1.26 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: 100 mg/mL (50.25 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. |
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.
Link: https://clinicaltrials.gov/ct2/show/NCT06741072
Conditions:Chronic Kidney Disease, Stage 4|Chronic Kidney Disease, Stage 5|EBV-Related Lymphoproliferative Disorder|EBV-Related Malignant Neoplasm|Post-Transplant Lymphoproliferative DisorderLink: https://clinicaltrials.gov/ct2/show/NCT05638698
Conditions:Pancreas CancerLink: https://clinicaltrials.gov/ct2/show/NCT00579423
Conditions:Prostate|Cancer
Title:A Phase I, Multicenter, Randomized, Double-Blind, Placebo-Controlled HIV-1 Vaccine Trial to Evaluate the Safety and Immunogenicity of rgp120/HIV-1MN (Genentech) in Combination With QS21 Adjuvant and/or Alum in Healthy Adults.
Status:Completed
updateDate:2021-11-04
Ctid:NCT00001044
Link: https://clinicaltrials.gov/ct2/show/NCT00001044
Conditions:HIV InfectionsLink: https://clinicaltrials.gov/ct2/show/NCT00001052
Conditions:HIV InfectionsLink: https://clinicaltrials.gov/ct2/show/NCT00001096
Conditions:HIV InfectionsLink: https://clinicaltrials.gov/ct2/show/NCT00000809
Conditions:HIV Infections|HIV SeronegativityLink: https://clinicaltrials.gov/ct2/show/NCT00955409
Conditions:Alzheimer DiseaseLink: https://clinicaltrials.gov/ct2/show/NCT00470574
Conditions:Breast CancerLink: https://clinicaltrials.gov/ct2/show/NCT00960531
Conditions:Alzheimer DiseaseLink: https://clinicaltrials.gov/ct2/show/NCT00498602
Conditions:Alzheimer DiseaseLink: https://clinicaltrials.gov/ct2/show/NCT00479557
Conditions:Alzheimer DiseaseLink: https://clinicaltrials.gov/ct2/show/NCT00030823
Conditions:Breast CancerLink: https://clinicaltrials.gov/ct2/show/NCT00003224
Conditions:Melanoma (Skin)Link: https://clinicaltrials.gov/ct2/show/NCT00006387
Conditions:Colorectal Cancer|Pancreatic CancerLink: https://clinicaltrials.gov/ct2/show/NCT00004052
Conditions:LeukemiaLink: https://clinicaltrials.gov/ct2/show/NCT00003362
Conditions:Melanoma (Skin)Link: https://clinicaltrials.gov/ct2/show/NCT00006041
Conditions:Fallopian Tube Cancer|Ovarian Cancer|Primary Peritoneal Cavity CancerLink: https://clinicaltrials.gov/ct2/show/NCT00004249
Conditions:Lung CancerLink: https://clinicaltrials.gov/ct2/show/NCT00036933
Conditions:Prostate CancerLink: https://clinicaltrials.gov/ct2/show/NCT00003819
Conditions:Prostate CancerLink: https://clinicaltrials.gov/ct2/show/NCT00004929
Conditions:Prostate CancerLink: https://clinicaltrials.gov/ct2/show/NCT00003357
Conditions:Breast CancerLink: https://clinicaltrials.gov/ct2/show/NCT00005052
Conditions:Melanoma (Skin)Products are for research use only; We do not sell to patients
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