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Irbesartan

CAT: 0804-HY-B0202-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0202-01Size:5 mg
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Description
Irbesartan (SR-47436) is an orally active Ang II type 1 (AT1) receptor blocker (ARB) . Irbesartan can relax the blood vessels, low blood pressure and increase the supply of blood and oxygen to the heart. Irbesartan can be used for the research of high blood pressure, heart failure, and diabetic kidney disease[1].
CAS Number
138402-11-6
Product Name Alternative
SR-47436; BMS-186295
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Angiotensin Receptor; Apoptosis
Type
Reference compound
Related Pathways
Apoptosis; GPCR/G Protein
Applications
COVID-19-immunoregulation
Field of Research
Cardiovascular Disease; Endocrinology
Assay Protocol
https://www.medchemexpress.com/Irbesartan.html
Purity
99.68
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C1N(CC2=CC=C(C3=C(C4=NN=NN4)C=CC=C3)C=C2)C(CCCC)=NC15CCCC5
Molecular Formula
C25H28N6O
Molecular Weight
428.53
Precautions
H302, H315, H319, H335
References & Citations
[1]Schupp M, et al. Angiotensin type 1 receptor blockers induce peroxisome proliferator-activated receptor-gamma activity. Circulation. 2004 May 4;109 (17) :2054-7. Epub 2004 Apr 26.|[2]Ruiz E, et al. Importance of intracellular angiotensin II in vascular smooth muscle cell apoptosis: inhibition by the angiotensin AT1 receptor antagonist irbesartan. Eur J Pharmacol. 2007 Jul 19;567 (3) :231-9. Epub 2007 Apr 6.|[3]Yong Zhong, et al. Irbesartan may relieve renal injury by suppressing Th22 cells chemotaxis and infiltration in Ang II-induced hypertension. Int Immunopharmacol
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Launched

Chemical Information

Irbesartan

Irbesartan is a biphenylyltetrazole that is an angiotensin II receptor antagonist used mainly for the treatment of hypertension. It has a role as an antihypertensive agent, a xenobiotic, an angiotensin receptor antagonist and an environmental contaminant. It is an azaspiro compound and a biphenylyltetrazole.

CAS Number138402-11-6
PubChem CID3749
IUPAC Name2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one
Molecular FormulaC25H28N6O
Molecular Weight428.5
XLogP4.1
Topological Polar Surface Area87.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity682
SMILES
CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5
InChI
InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)
InChIKey
YOSHYTLCDANDAN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Irbesartan
CAS: 138402-11-6
CID: 3749
Formula: C25H28N6O
MW: 428.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight428.5
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass428.23245954
Monoisotopic Mass428.23245954
Topological Polar Surface Area87.1 Ų
Heavy Atom Count32
Formal Charge0
Complexity682
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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