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SC-17599

CAT: 0931-T202818-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T202818-01Size:10 mg
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CAS Number
23775-92-0
Bioactivity
SC-17599 exhibits dose-dependent analgesic effects in both the acetic acid-induced writhing test and the hot-water tail withdrawal test. This compound also induces a Straub tail reaction in a dose-dependent and naltrexone-sensitive manner, akin to morphine. However, unlike morphine, high doses of SC-17599 do not affect motor activity. Overall, SC-17599 demonstrates selective μ-opioid receptor agonism, showing behavior effects similar to morphine, with some differences.
Smiles
C(CF)(=O)[C@]1(OC(C)=O)[C@]2(C)[C@@](CC1)([C@]3([C@](CC2)([C@]4(C)C(=C(CN(C)C)C3)C=C(OCC)CC4)[H])[H])[H]
Molecular Formula
C28H42FNO4
Molecular Weight
475.64
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

SC-17599

a mu-opioid receptor agonist; structure in first source

CAS Number23775-92-0
PubChem CID10436424
IUPAC Name[(8R,9S,10R,13S,14S,17R)-6-[(dimethylamino)methyl]-3-ethoxy-17-(2-fluoroacetyl)-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
Molecular FormulaC28H42FNO4
Molecular Weight475.6
XLogP4.4
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count34
Formal Charge0
Complexity910
SMILES
CCOC1=CC2=C(C[C@@H]3[C@@H]([C@]2(CC1)C)CC[C@]4([C@H]3CC[C@@]4(C(=O)CF)OC(=O)C)C)CN(C)C
InChI
InChI=1S/C28H42FNO4/c1-7-33-20-8-11-26(3)22-9-12-27(4)23(10-13-28(27,25(32)16-29)34-18(2)31)21(22)14-19(17-30(5)6)24(26)15-20/h15,21-23H,7-14,16-17H2,1-6H3/t21-,22+,23+,26-,27+,28+/m1/s1
InChIKey
ZPVGJKVIJYUOCI-ORZTVLAMSA-N
Chemical Structure
2D Structure
2D structure of SC-17599
CAS: 23775-92-0
CID: 10436424
Formula: C28H42FNO4
MW: 475.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight475.6
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass475.30978698
Monoisotopic Mass475.30978698
Topological Polar Surface Area55.8 Ų
Heavy Atom Count34
Formal Charge0
Complexity910
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes