Squalamine

• CAS: 148717-90-2
• Catalog Number: ACM148717902
• Category: Inhibitors
• Molecular Weight: 628
• Molecular Formula: C34H65N3O5S
• Description: Squalamine is an aminosterol compound with potent broad spectrum antiviral activity.
• Synonyms: 3beta-N-1-(N-[3-(4-Aminobutyl)]- 1,3-diaminopropane)-7alpha,24R-dihydroxy-5alpha-cholestane 24-sulfate
• IUPAC Name: [(3R,6R)-6-[(3S,5R,7R,8R,9S,10S,13R,14S,17R)-3-[3-(4-Aminobutylamino)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
• Canonical SMILES: C[C@@]12[C@](C[C@@H](O)[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@@H](CC[C@H](C(C)C)OS(=O)(O)=O)C)([H])C[C@@H](NCCCNCCCCN)CC1
• InChI: InChI=1S/C34H65N3O5S/c1-23(2)31(42-43(39,40)41)12-9-24(3)27-10-11-28-32-29(14-16-34(27,28)5)33(4)15-13-26(21-25(33)22-30(32)38)37-20-8-19-36-18-7-6-17-35/h23-32,36-38H,6-22,35H2,1-5H3,(H,39,40,41)/t24-,25-,26+,27-,28+,29+,30-,31-,32+,33+,34-/m1/s1
• InChI Key: UIRKNQLZZXALBI-MSVGPLKSSA-N
• Density: 1.13±0.1 g/cm³
• Appearance: Solid
• Storage: Powder-20°C, 3 years; 4°C, 2 years; In solvent-80°C, 6 months; -20°C, 1 month.
• Complexity: 976
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 11
• Exact Mass: 627.46449336
• Heavy Atom Count: 43
• 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)NCCCNCCCCN)C)O)C
• Monoisotopic Mass: 627.46449336
• Physical State: Powder
• Shipping: Can be shipped at room temperature, where not in use may vary.
• Source: Squalus acanthias
• Storage Conditions: Powder: -20°C for 3 years; In solvent: -80°C for 2 years
• Topological Polar Surface Area: 142 Ų