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AT2 receptor agonist C21

CAT: 0013-GTR19204009-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19204009-01Size:1 mg
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Description
Buloxibutid (C21) is a selective AT2 receptor agonist with high affinity (Ki = 0.4 nM) and significant selectivity over the AT1 receptor. It is a valuable research tool for investigating the renin-angiotensin system in models of cardiovascular and renal disease, fibrosis, and inflammation, both in vitro and in vivo.
CAS Number
477775-14-7
Product Name Alternative
AT2 receptor agonist C21, AT2, AT2 receptor, AT1, Buloxibutid
Field of Research
Epigenetics & Chromatin; Pharmacology & Drug Discovery, Metabolism Research
Purity
97.68% (May vary between batches)
Solubility
DMSO:22.5 mg/mL (47.31 mM) ;10% DMSO+40% PEG300+5% Tween-80+45% Saline:2 mg/mL (4.21 mM)
Smiles
CCCCOC (=O) NS (=O) (=O) c1sc (CC (C) C) cc1-c1ccc (Cn2ccnc2) cc1
Molecular Formula
C23H29N3O4S2
Molecular Weight
475.62
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Buloxibutid
CAS Number477775-14-7
PubChem CID9804984
IUPAC Namebutyl N-[3-[4-(imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate
Molecular FormulaC23H29N3O4S2
Molecular Weight475.6
XLogP5.3
Topological Polar Surface Area127
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count32
Formal Charge0
Complexity690
SMILES
CCCCOC(=O)NS(=O)(=O)C1=C(C=C(S1)CC(C)C)C2=CC=C(C=C2)CN3C=CN=C3
InChI
InChI=1S/C23H29N3O4S2/c1-4-5-12-30-23(27)25-32(28,29)22-21(14-20(31-22)13-17(2)3)19-8-6-18(7-9-19)15-26-11-10-24-16-26/h6-11,14,16-17H,4-5,12-13,15H2,1-3H3,(H,25,27)
InChIKey
XTEOJPUYZWEXFI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Buloxibutid
CAS: 477775-14-7
CID: 9804984
Formula: C23H29N3O4S2
MW: 475.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight475.6
XLogP35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass475.15994876
Monoisotopic Mass475.15994876
Topological Polar Surface Area127 Ų
Heavy Atom Count32
Formal Charge0
Complexity690
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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