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Seprilose

CAT: 0013-GTR19196519-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196519-02Size:50 mg
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Description
Seprilose is a small molecule inhibitor of prostaglandin E2 (PGE2) synthesis. It is a valuable research tool for studying PGE2-mediated pathways in both in vitro cellular assays and in vivo models of inflammation, pain, and fever.
CAS Number
133692-55-4
Field of Research
Immunology & Inflammation, Pharmacology & Drug Discovery
Smiles
O (CCCCCCC) [C@@H]1[C@@]2 ([C@] (O[C@@]1 ([C@@H] (CO) O) [H]) (OC (C) (C) O2) [H]) [H]
Molecular Formula
C16H30O6
Molecular Weight
318.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Seprilose
CAS Number133692-55-4
PubChem CID60818
IUPAC Name(1R)-1-[(3aR,5R,6S,6aR)-6-heptoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
Molecular FormulaC16H30O6
Molecular Weight318.41
XLogP1.8
Topological Polar Surface Area77.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count22
Formal Charge0
Complexity335
SMILES
CCCCCCCO[C@@H]1[C@@H]2[C@H](O[C@@H]1[C@@H](CO)O)OC(O2)(C)C
InChI
InChI=1S/C16H30O6/c1-4-5-6-7-8-9-19-13-12(11(18)10-17)20-15-14(13)21-16(2,3)22-15/h11-15,17-18H,4-10H2,1-3H3/t11-,12-,13+,14-,15-/m1/s1
InChIKey
GWSUUEYOBZZHIJ-UXXRCYHCSA-N
Chemical Structure
2D Structure
2D structure of Seprilose
CAS: 133692-55-4
CID: 60818
Formula: C16H30O6
MW: 318.41
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight318.41
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass318.20423867
Monoisotopic Mass318.20423867
Topological Polar Surface Area77.4 Ų
Heavy Atom Count22
Formal Charge0
Complexity335
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T28755-01Seprilose

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