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RO 46-8443

CAT: 0013-GTR19172258-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19172258-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
RO 46-8443 is a selective, non-peptide antagonist of the endothelin ETB receptor, exhibiting up to 2000-fold selectivity in both binding and functional assays. This tool compound is used in vitro and in vivo to investigate ETB receptor function in cardiovascular and renal research.
CAS Number
175556-12-4
Product Name Alternative
Hypertensive rats, ET-B, ETB, EndothelinReceptor, Endothelin Receptor, Inhibitor, normotensive, non-peptide, inhibit, RO 46 8443, RO 468443, Ro 46-8443, RO 46-8443, selective
Field of Research
Pharmacology & Drug Discovery
Purity
98.50% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (3.28 mM) ; DMSO:55 mg/mL (90.21 mM)
Smiles
COc1ccc (cc1) -c1nc (NS (=O) (=O) c2ccc (cc2) C (C) (C) C) c (Oc2ccccc2OC) c (OC[C@H] (O) CO) n1
Molecular Formula
C31H35N3O8S
Molecular Weight
609.69
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ro 46-8443

a non-peptide endothelin ET(B) receptor selective antagonist; structure given in first source

CAS Number175556-12-4
PubChem CID5312146
IUPAC Name4-tert-butyl-N-[6-[(2R)-2,3-dihydroxypropoxy]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]benzenesulfonamide
Molecular FormulaC31H35N3O8S
Molecular Weight609.7
XLogP4.9
Topological Polar Surface Area158
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count13
Heavy Atom Count43
Formal Charge0
Complexity928
SMILES
CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=CC=C(C=C3)OC)OC[C@@H](CO)O)OC4=CC=CC=C4OC
InChI
InChI=1S/C31H35N3O8S/c1-31(2,3)21-12-16-24(17-13-21)43(37,38)34-29-27(42-26-9-7-6-8-25(26)40-5)30(41-19-22(36)18-35)33-28(32-29)20-10-14-23(39-4)15-11-20/h6-17,22,35-36H,18-19H2,1-5H3,(H,32,33,34)/t22-/m1/s1
InChIKey
DRIHNVYRUGBDHI-JOCHJYFZSA-N
Chemical Structure
2D Structure
2D structure of Ro 46-8443
CAS: 175556-12-4
CID: 5312146
Formula: C31H35N3O8S
MW: 609.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight609.7
XLogP34.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count13
Exact Mass609.21448626
Monoisotopic Mass609.21448626
Topological Polar Surface Area158 Ų
Heavy Atom Count43
Formal Charge0
Complexity928
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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