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ONO 1301

CAT: 0013-GTR19196875-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196875-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Ono 1301 is a prostaglandin I2 mimetic and thromboxane A2 synthase inhibitor. It suppresses pancreatic fibrosis in vivo, as shown in DBTC-induced chronic pancreatitis models, by inhibiting monocyte activity and promoting hepatocyte growth factor synthesis via IP receptor-mediated cAMP elevation.
CAS Number
176391-41-6
Field of Research
Immunology & Inflammation, Pharmacology & Drug Discovery
Purity
98.91% (May vary between batches)
Smiles
C (CO/N=C (\C1=CC=CC=C1) /C=2C=CC=NC2) C=3C=4C (=C (OCC (O) =O) C=CC4) CCC3
Molecular Formula
C26H24N2O4
Molecular Weight
428.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ono 1301

a non-prostanoid prostaglandin I2 mimetic coumpound with inhibitory activity against thromboxane A2 synthase; structure given in first source

CAS Number176391-41-6
PubChem CID6536812
IUPAC Name2-[[5-[2-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]oxyethyl]-7,8-dihydronaphthalen-1-yl]oxy]acetic acid
Molecular FormulaC26H24N2O4
Molecular Weight428.5
XLogP4.9
Topological Polar Surface Area81
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity671
SMILES
C1CC2=C(C=CC=C2OCC(=O)O)C(=C1)CCO/N=C(\C3=CC=CC=C3)/C4=CN=CC=C4
InChI
InChI=1S/C26H24N2O4/c29-25(30)18-31-24-13-5-11-22-19(9-4-12-23(22)24)14-16-32-28-26(20-7-2-1-3-8-20)21-10-6-15-27-17-21/h1-3,5-11,13,15,17H,4,12,14,16,18H2,(H,29,30)/b28-26+
InChIKey
WBBLIRPKRKYMTD-BYCLXTJYSA-N
Chemical Structure
2D Structure
2D structure of Ono 1301
CAS: 176391-41-6
CID: 6536812
Formula: C26H24N2O4
MW: 428.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight428.5
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass428.17360725
Monoisotopic Mass428.17360725
Topological Polar Surface Area81 Ų
Heavy Atom Count32
Formal Charge0
Complexity671
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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