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CAY10641

CAT: 0013-GTR19190425-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19190425-03Size:10 mg
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Description
CAY10641 is an inactive alcohol derivative of a potent cPLA2α inhibitor (IC50=12 nM) . The parent compound exhibits topical anti-inflammatory efficacy in murine dermatitis models, but CAY10641 itself shows rapid systemic clearance and no other reported biological activities.
CAS Number
1233706-89-2
Field of Research
Metabolism Research
Smiles
C (C (C) C) (=O) C=1C=2C (N (CC (COC3=CC=C (OC4=CC=CC=C4) C=C3) O) C1) =CC=C (C (O) =O) C2
Molecular Formula
C28H27NO6
Molecular Weight
473.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-[2-Hydroxy-3-(4-phenoxyphenoxy)propyl]-3-(2-methylpropanoyl)-1H-indole-5-carboxylic acid
CAS Number1233706-89-2
PubChem CID46868635
IUPAC Name1-[2-hydroxy-3-(4-phenoxyphenoxy)propyl]-3-(2-methylpropanoyl)indole-5-carboxylic acid
Molecular FormulaC28H27NO6
Molecular Weight473.5
XLogP4.8
Topological Polar Surface Area98
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count35
Formal Charge0
Complexity700
SMILES
CC(C)C(=O)C1=CN(C2=C1C=C(C=C2)C(=O)O)CC(COC3=CC=C(C=C3)OC4=CC=CC=C4)O
InChI
InChI=1S/C28H27NO6/c1-18(2)27(31)25-16-29(26-13-8-19(28(32)33)14-24(25)26)15-20(30)17-34-21-9-11-23(12-10-21)35-22-6-4-3-5-7-22/h3-14,16,18,20,30H,15,17H2,1-2H3,(H,32,33)
InChIKey
BOEJDYFVYZETDG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[2-Hydroxy-3-(4-phenoxyphenoxy)propyl]-3-(2-methylpropanoyl)-1H-indole-5-carboxylic acid
CAS: 1233706-89-2
CID: 46868635
Formula: C28H27NO6
MW: 473.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight473.5
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass473.18383758
Monoisotopic Mass473.18383758
Topological Polar Surface Area98 Ų
Heavy Atom Count35
Formal Charge0
Complexity700
Isotope Atom Count0
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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