Basic Description

Synonyms	1794817-45-0 \| Azilsartan [USAN] \| AZILSARTAN [INN] \| CCG-269296 \| D08864 \| 2-Ethoxy-1-[[2'-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl]benzimidazole-7-carboxylic acid \| 2-Ethoxy-1-[[2'-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)biphenyl4-yl
Specifications & Purity	Moligand™, ≥99%
Biochemical and Physiological Mechanisms	Azilsartan is a highly potent and slowly dissociating Angiotensin II type 1 (AT1) receptor blocker (ARB) with an IC50 of 2.6 nM. It is the active form of Azilsartan medoxomil, used for treatment of hypertension. Azilsartan may also have potentially benefi
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Grade	Moligand™
Action Type	ANTAGONIST
Mechanism of action	Antagonist of AT 1 receptor

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Biphenyls and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Biphenyls and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Biphenyls and derivatives
Alternative Parents	Phenyloxadiazoles Benzimidazoles Alkyl aryl ethers N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Biphenyl - Phenyl-1,2,4-oxadiazole - Benzimidazole - Alkyl aryl ether - N-substituted imidazole - 1,2,4-oxadiazole - Azole - Heteroaromatic compound - Imidazole - Oxadiazole - Vinylogous amide - Carboxylic acid derivative - Carboxylic acid - Ether - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
External Descriptors	aromatic ether - 1,2,4-oxadiazole - benzimidazolecarboxylic acid
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Product Properties

ALogP	4.4

Associated Targets(Human)

AGTR1 Tclin Type-1 angiotensin II receptor (0 Activities)

Discover Target: AGTR1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

LTB4R2 Tchem Leukotriene B4 receptor 2 (146 Activities)

Discover Target: LTB4R2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AGTR1 Angiotensin II type 1a (AT-1a) receptor (440 Activities)

Discover Target: AGTR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rattus norvegicus (775804 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Agtr1b Angiotensin II receptor (1735 Activities)

Discover Target: Agtr1b

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504773291
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504773291
IUPAC Name	2-ethoxy-3-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
INCHI	InChI=1S/C25H20N4O5/c1-2-33-24-26-20-9-5-8-19(23(30)31)21(20)29(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-27-25(32)34-28-22/h3-13H,2,14H2,1H3,(H,30,31)(H,27,28,32)
InChIKey	KGSXMPPBFPAXLY-UHFFFAOYSA-N
Smiles	CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NOC(=O)N5)C(=O)O
Isomeric SMILES	CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NOC(=O)N5)C(=O)O
WGK Germany	3
Molecular Weight	456.45
Reaxy-Rn	7673311
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7673311&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

19 results found

Lot Number	Certificate Type	Date	Item
C23031347	Certificate of Analysis	Dec 06, 2024	A129255
B23031087	Certificate of Analysis	Nov 20, 2024	A129255
B23031088	Certificate of Analysis	Nov 20, 2024	A129255
B23031093	Certificate of Analysis	Nov 20, 2024	A129255
B23031086	Certificate of Analysis	Nov 13, 2024	A129255
B23031085	Certificate of Analysis	Nov 13, 2024	A129255
B23031077	Certificate of Analysis	Nov 13, 2024	A129255
B23031076	Certificate of Analysis	Nov 13, 2024	A129255
E1518066	Certificate of Analysis	Aug 09, 2024	A129255
J2120421	Certificate of Analysis	Aug 18, 2023	A129255
J2120339	Certificate of Analysis	Aug 18, 2023	A129255
J2120340	Certificate of Analysis	Aug 18, 2023	A129255
J1909028	Certificate of Analysis	May 10, 2023	A129255
B2428387	Certificate of Analysis	Mar 06, 2023	A129255
B2428441	Certificate of Analysis	Mar 06, 2023	A129255
B2428444	Certificate of Analysis	Mar 06, 2023	A129255
E1528163	Certificate of Analysis	Nov 11, 2022	A129255
B2217295	Certificate of Analysis	Dec 09, 2021	A129255
B2217273	Certificate of Analysis	Dec 09, 2021	A129255

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Chemical and Physical Properties

Solubility	DMSO: soluble15 mg/mL
Sensitivity	Heat sensitive
Melt Point(°C)	188 °C(dec.)
Molecular Weight	456.400 g/mol
XLogP3	4.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	456.143 Da
Monoisotopic Mass	456.143 Da
Topological Polar Surface Area	115.000 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	783.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Qi Liang, Xiaoying Fu, Jianfeng Zhang, Jiaxue Hao, Gangjun Feng, Jing Wang, Qian Li, Faizan Ahmad, Xinfeng Zhao. (2020) Immobilized angiotensin II type I receptor: A powerful method of high throughput screening for antihypertensive compound identification through binding interaction analysis. JOURNAL OF CHROMATOGRAPHY A, 1620 (461003).
2. Yunong Li, Haixia Zhu, Jingbo Yang, Kehui Ke, Yanmei Zhu, Li Chen, Youyang Qu, Rui Suo, Xiujie Chen, Yulan Zhu. (2019) Discovering Proangiogenic Drugs in Ischemic Stroke Based on the Relationship between Protein Domain and Drug Substructure. ACS Chemical Neuroscience, 10 (1): (507–517).

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SKU	Size	Availability	Price
A129255-10mg	10mg	≥10	$64.90
A129255-50mg	50mg	7	$129.90
A129255-250mg	250mg	5	$585.90
A129255-1g	1g	3	$2,106.90
A129255-5g	5g	5	$9,477.90
A129255-25g	25g	2	$42,646.90

Azilsartan - ≥99%, high purity , CAS No.147403-03-0, Antagonist of AT 1 receptor