Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C92H148O46 |
| Molecular Weight | 1990.1319 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 51 / 51 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@](C[C@H](O)CC(=O)O[C@@]([H])(C[C@H](O)CC(=O)O[C@H]1[C@@H](C)O[C@@H](OC(=O)[C@]23CCC(C)(C)C[C@@]2([H])C4=CC[C@]5([H])[C@@]6(C)CC[C@H](O[C@]7([H])O[C@@H]([C@@H](O)[C@H](O[C@]8([H])OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@]9([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O)C(O)=O)[C@@](C)(C=O)[C@]6([H])CC[C@@]5(C)[C@]4(C)C[C@H]3O)[C@H](O[C@]%10([H])O[C@@H](C)[C@H](O[C@]%11([H])OC[C@@H](O)[C@H](O[C@]%12([H])OC[C@](O)(CO)[C@H]%12O)[C@H]%11O)[C@@H](O)[C@H]%10O)[C@H]1O)[C@@H](C)CC)(O[C@@H]%13O[C@@H](CO)[C@H](O)[C@H]%13O)[C@@H](C)CC
InChI
InChIKey=DRHZYJAUECRAJM-DWSYSWFDSA-N
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
| Molecular Formula | C92H148O46 |
| Molecular Weight | 1990.1319 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 51 / 51 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
QS-21 is a purified soapbark tree (Quillaja saponaria) extract that enhances the ability of the immune system to respond to vaccine antigens. QS-21 is a promising adjuvant candidate for use in humans due to the ease of purification, its improved safety profile, and its ability to enhance cellular and humoral immunogenicity. The mechanism of action of QS-21 was speculated to be similar to QA, forming complexes with cholesterol that intercalate into the cell membrane lipids. This intercalation creates pores in the membrane to accelerate the uptake of a co-delivered antigen by the antigen presenting cells. Multiple clinical trials using QS-21 as an adjuvant, demonstrated satisfactory safety profiles and enhanced immunogenicity in immunocompromised volunteers
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 15:04:32 GMT 2023
by
admin
on
Sat Dec 16 15:04:32 GMT 2023
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| Record UNII |
3LHL0S9KBM
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| Record Status |
Validated (UNII)
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| Record Version |
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73652135
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141256-04-4
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admin on Sat Dec 16 15:04:32 GMT 2023 , Edited by admin on Sat Dec 16 15:04:32 GMT 2023
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DTXSID601318719
Created by
admin on Sat Dec 16 15:04:32 GMT 2023 , Edited by admin on Sat Dec 16 15:04:32 GMT 2023
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3LHL0S9KBM
Created by
admin on Sat Dec 16 15:04:32 GMT 2023 , Edited by admin on Sat Dec 16 15:04:32 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
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PARENT -> CONSTITUENT ALWAYS PRESENT |
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