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CAY10535

CAT: 0013-GTR19191320-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19191320-01Size:1 mg
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Description
CAY10535 is a thromboxane A2 receptor (TP) antagonist with approximately 20-fold selectivity for the TPβ isoform over TPα. This selectivity profile makes it a useful research tool for investigating the distinct roles of TP isoforms, particularly in studies of endothelial cell function, angiogenesis, and vascular biology, both in vitro and in vivo.
CAS Number
945716-28-9
Field of Research
Immunology & Inflammation, Pharmacology & Drug Discovery
Smiles
O (C1=C (S (NC (NC (C) (C) C) =O) (=O) =O) C=C (N (=O) =O) C=C1) C2=CC (OC) =CC=C2
Molecular Formula
C18H21N3O7S
Molecular Weight
423.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-Tert-butyl-3-[2-(3-methoxyphenoxy)-5-nitrophenyl]sulfonylurea
CAS Number945716-28-9
PubChem CID16755884
IUPAC Name1-tert-butyl-3-[2-(3-methoxyphenoxy)-5-nitrophenyl]sulfonylurea
Molecular FormulaC18H21N3O7S
Molecular Weight423.4
XLogP2.8
Topological Polar Surface Area148
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity681
SMILES
CC(C)(C)NC(=O)NS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OC2=CC=CC(=C2)OC
InChI
InChI=1S/C18H21N3O7S/c1-18(2,3)19-17(22)20-29(25,26)16-10-12(21(23)24)8-9-15(16)28-14-7-5-6-13(11-14)27-4/h5-11H,1-4H3,(H2,19,20,22)
InChIKey
AHBPOHBDSHUMKH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Tert-butyl-3-[2-(3-methoxyphenoxy)-5-nitrophenyl]sulfonylurea
CAS: 945716-28-9
CID: 16755884
Formula: C18H21N3O7S
MW: 423.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight423.4
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass423.11002119
Monoisotopic Mass423.11002119
Topological Polar Surface Area148 Ų
Heavy Atom Count29
Formal Charge0
Complexity681
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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