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Buloxibutid

CAT: 1568-C03231-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C03231-01Size:5 mg
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CAS Number
477775-14-7
Synonyms
AT2 Agonist C21
SKU
C03231-5mg
Target
Angiotensin Receptor
Applications
GPCR & G Protein
Additionnal Information
Buloxibutid (AT2 Agonist C21) is a selective agonist of angiotensin II type 2 receptor (AT2R) with a Ki value of 0.4 nM for the AT2 receptor and a Ki >10 μM for the AT1 receptor. Its treatment significantly reduces vascular remodelling, improves hemodynamics, and decreases pulmonary collagen deposition in the Sugen-Hypoxia model of pulmonary hypertension.

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

Alternative Products

CatalogName
HY-100113-01Buloxibutid
HY-100113RBuloxibutid (Standard)

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