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(rac) -Etodolac-d3

CAT: 0804-HY-76251S1-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-76251S1-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(rac) -Etodolac-d3 is a labelled racemic Etodolac. Etodolac (AY-24236) is a non-steroidal anti-inflammatory compound that is a non-selective inhibitor of COX (IC50=53.5 nM)
CAS Number
1276197-46-6
UNSPSC
12352005
Target
COX; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Immunology/Inflammation; Others
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology; Cancer
Solubility
10 mM in DMSO
Smiles
C(C(O)=O)C1(CC([2H])([2H])[2H])C2=C(C=3C(N2)=C(CC)C=CC3)CCO1
Molecular Formula
C17H18D3NO3
Molecular Weight
290.37
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.|[2]Riendeau D, et al. Biochemical and pharmacological profile of a tetrasubstituted furanone as a highly selective COX-2 inhibitor. Br J Pharmacol. 1997 May;121 (1) :105-17.|[3]Ito S, Tajima K, Nogawa M et al. Etodolac, a cyclooxygenase-2 inhibitor, attenuates paclitaxel-induced peripheral neuropathy in a mouse model of mechanical allodynia. J Pharmacol Exp Ther. 2012 Jul;342 (1) :53-60.|[4]Yanaoka K, Oka M, Yoshimura N et al. Preventive effects of etodolac, a selective cyclooxygenase-2 inhibitor, on cancer development in extensive metaplastic gastritis, a Helicobacter pylori-negative precancerous lesion. Int J Cancer. 2010 Mar 15;126 (6) :1467-73.|[5]Matsuyama M, Yoshimura R, Hase T et al. Administration of the selective cyclooxygenase (COX) -2 inhibitor etodolac prolongs cardiac allograft survival in a mouse model. Mol Med Report. 2010 Sep-Oct;3 (5) :771-4.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

rac Etodolac-d3
CAS Number1276197-46-6
PubChem CID71316688
IUPAC Name2-[8-ethyl-1-(2,2,2-trideuterioethyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid
Molecular FormulaC17H21NO3
Molecular Weight290.37
XLogP2.8
Topological Polar Surface Area62.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity399
SMILES
[2H]C([2H])([2H])CC1(C2=C(CCO1)C3=CC=CC(=C3N2)CC)CC(=O)O
InChI
InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)/i2D3
InChIKey
NNYBQONXHNTVIJ-BMSJAHLVSA-N
Chemical Structure
2D Structure
2D structure of rac Etodolac-d3
CAS: 1276197-46-6
CID: 71316688
Formula: C17H21NO3
MW: 290.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight290.37
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass290.17097377
Monoisotopic Mass290.17097377
Topological Polar Surface Area62.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity399
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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