Compound Summary
Trodusquemine
Compound Information
Trodusquemine
Compound Name: | Trodusquemine |
Compound CID: | 9917968 |
Synonyms: | Trodusquemine MSI-1436 186139-09-3 UNII-KKC12PIF16 KKC12PIF16 More... |
Iupac Name: | [(3R,6R)-6-[(3S,5R,7R,8R,9S,10S,13R,14S,17R)-3-[3-[4-(3-aminopropylamino)butylamino]propylamino]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptan-3-yl] hydrogen sulfate |
InChI: | InChI=1S/C37H72N4O5S/c1-26(2)34(46-47(43,44)45)13-10-27(3)30-11-12-31-35-32(15-17-37(30,31)5)36(4)16-14-29(24-28(36)25-33(35)42)41-23-9-22-40-20-7-6-19-39-21-8-18-38/h26-35,39-42H,6-25,38H2,1-5H3,(H,43,44,45)/t27-,28-,29+,30-,31+,32+,33-,34-,35+,36+,37-/m1/s1 |
InChIKey: | WUJVPODXELZABP-FWJXURDUSA-N |
Canonical Smiles: | CC(C)C(CCC(C)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)NCCCNCCCCNCCCN)C)O)C)OS(=O)(=O)O |
Isomeric Smiles: | C[C@H](CC[C@H](C(C)C)OS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CC[C@@H](C4)NCCCNCCCCNCCCN)C)O)C |
Molecular Weight: | 685.1 |
Molecular Formula: | C37H72N4O5S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Trodusquemine
Molecular Weight: | 685.1 |
Molecular Formula: | C37H72N4O5S |
Hydrogen Bond Donor Count: | 6 |
Hydrogen Bond Acceptor Count: | 9 |
Rotatable Bond Count: | 20 |
Heavy Atom Count: | 47 |
Complexity: | 1040 |
Synonyms
Trodusquemine
| Trodusquemine | Trodusquemine |
|---|---|
Trodusquemine |
MSI-1436 |
186139-09-3 |
UNII-KKC12PIF16 |
KKC12PIF16 |
CHEMBL508583 |
Produlestan |
Trodulamine |
Trodusquemine USAN:INN |
MSI1436 |
Aminosterol-1436 |
3-n-1(spermine)-7, 24-dihydroxy-5-cholestane 24-sulfate |
Trodusquemine (USAN/INN) |
GTPL9733 |
SCHEMBL2876305 |
CHEBI:177502 |
BDBM50333649 |
ZINC49833385 |
CS-4937 |
DB06333 |
BT168546 |
HY-12219 |
D06252 |
Q27282308 |
(24R)-3beta-((3-((4-((3-aminopropyl)amino)butyl)amino)propyl)amino)-7alpha-hydroxy-5alpha-cholestan-24-yl hydrogen sulfate |
(3R,6R)-6-((3S,5R,7R,8R,9S,10S,13R,14S,17R)-3-(3-(4-(3-aminopropylamino)butylamino)propylamino)-7-hydroxy-10,13-dimethyl-hexadecahydro-1H-cyclopentaaphenanthren-17-yl)-2-methylheptan-3-yl hydrogen sulfate |
(3R,6R)-6-(3S,5R,7R,8R,9S,10S,13R,14S,17R)-3-3-4-(3-aminopropylamino)butylaminopropylamino-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopentaaphenanthren-17-yl-2-methylheptan-3-yl hydrogen sulate |
(3R,6R)-6-(3S,5R,7R,8R,9S,10S,13R,14S,17R)-3-3-4-(3-aminopropylamino)butylaminopropylamino-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopentaaphenanthren-17-yl-2-methylheptan-3-yl hydrogen sulfate |
Cholestane-7,24-diol, 3-((3-((4-((3-aminopropyl)amino)butyl)amino)propyl)amino)-, 24-(hydrogen sulfate), (3beta,5alpha,7alpha,24R)- |
Experimental Data
Trodusquemine
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 100.000000000000000 | umol/L | 15.000000000000000 | 18.000000000000000 | 0.200000000000000 | 24.000000000000000 | 22.000000000000000 | -0.080000000000000 | Unclear | N2 | 29953201 | ||
| Caenorhabditis elegans | 100.000000000000000 | umol/L | 15.000000000000000 | 19.000000000000000 | 0.270000000000000 | 24.000000000000000 | 22.000000000000000 | -0.080000000000000 | Unclear | N2 | 29953201 |
Experimental Data Visualization
Trodusquemine
Statistics Data
Trodusquemine
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 0.270000000000000 | -0.080000000000000 | 1 | 2 |
Statistics Data Visualization
Trodusquemine
