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Rutaecarpine

CAT: 0013-GTR19171295-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19171295-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Rutaecarpine (Rhetine) is a selective COX-2 inhibitor exhibiting an IC50 of 0.28 μM. This small molecule is utilized in biochemical research to study inflammation pathways and has been investigated in both cellular and animal models of pain and fever.
CAS Number
84-26-4
Product Name Alternative
COX, COX-2, Cyclooxygenase, inhibit, Inhibitor, Rutecarpine, Rutacarpine, Rutaecarpine, Rhetine
Field of Research
Immunology & Inflammation, Neuroscience
Purity
97.54% (May vary between batches)
Solubility
H2O:< 1 mg/mL (insoluble or slightly soluble) ; PBS:< 1 mg/mL (insoluble) ; Ethanol:0.3 mg/mL (1.04 mM) ; DMSO:18.33 mg/mL (63.8 mM)
Smiles
O=C1N2CCC3=C (NC4=CC=CC=C34) C2=NC2=CC=CC=C12
Molecular Formula
C18H13N3O
Molecular Weight
287.32
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Rutaecarpine

Rutecarpine is a member of beta-carbolines.

CAS Number84-26-4
PubChem CID65752
IUPAC Name3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one
Molecular FormulaC18H13N3O
Molecular Weight287.3
XLogP3
Topological Polar Surface Area48.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count22
Formal Charge0
Complexity516
SMILES
C1CN2C(=NC3=CC=CC=C3C2=O)C4=C1C5=CC=CC=C5N4
InChI
InChI=1S/C18H13N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(9-10-21(17)18)11-5-1-3-7-14(11)19-16/h1-8,19H,9-10H2
InChIKey
ACVGWSKVRYFWRP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Rutaecarpine
CAS: 84-26-4
CID: 65752
Formula: C18H13N3O
MW: 287.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight287.3
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass287.105862047
Monoisotopic Mass287.105862047
Topological Polar Surface Area48.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity516
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
N1344-20Rutaecarpine

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