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BMY 45778

CAT: 0607-B6741-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B6741-10Size:10 mg
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Description
partial agonist at IP1 prostacyclin receptors
CAS Number
152575-66-1
Product Name Alternative
2-(3-(4,5-diphenyl-[2,4'-bioxazol]-5'-yl)phenoxy)acetic acid
Field of Research
GPCR G protein Prostanoid Receptors
Purity
0.98
Form
Off-white solid
Solubility
≥67.6 mg/mL in DMSO
Smiles
OC(COC1=CC(C2=C(C3=NC(C4=CC=CC=C4)=C(C5=CC=CC=C5)O3)N=CO2)=CC=C1)=O
Molecular Formula
C26H18N2O5
Molecular Weight
438.44
Shipping Conditions
Blue ice
Storage Conditions
Store at 4°C.

Chemical Information

(3-(4-(4,5-Diphenyl-2-oxazolyl)-5-oxazolyl)phenoxy)acetic acid

BMY 45778 is a bisoxazole. It has a role as a partial prostacyclin agonist.

CAS Number152575-66-1
PubChem CID127861
IUPAC Name2-[3-[4-(4,5-diphenyl-1,3-oxazol-2-yl)-1,3-oxazol-5-yl]phenoxy]acetic acid
Molecular FormulaC26H18N2O5
Molecular Weight438.4
XLogP5
Topological Polar Surface Area98.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity636
SMILES
C1=CC=C(C=C1)C2=C(OC(=N2)C3=C(OC=N3)C4=CC(=CC=C4)OCC(=O)O)C5=CC=CC=C5
InChI
InChI=1S/C26H18N2O5/c29-21(30)15-31-20-13-7-12-19(14-20)24-23(27-16-32-24)26-28-22(17-8-3-1-4-9-17)25(33-26)18-10-5-2-6-11-18/h1-14,16H,15H2,(H,29,30)
InChIKey
DSRSEEYZGWTODH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (3-(4-(4,5-Diphenyl-2-oxazolyl)-5-oxazolyl)phenoxy)acetic acid
CAS: 152575-66-1
CID: 127861
Formula: C26H18N2O5
MW: 438.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight438.4
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass438.12157168
Monoisotopic Mass438.12157168
Topological Polar Surface Area98.6 Ų
Heavy Atom Count33
Formal Charge0
Complexity636
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

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Alternative Products

CatalogName
TRC-B596418-250MGBMY 45778

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