Tezosentan , Endothelin receptor ET-B antagonist, CAS No.180384-57-0, Endothelin receptor ET-B antagonist

CAS: 180384-57-0 Cat. No.: T350112 分子式: C₂₇H₂₇N₉O₆S 分子量: 605.64 PubChem CID: 151174

Synonyms

AKOS015967353 | N-(6-(2-Hydroxyethoxy)-5-(o-methoxyphenoxy)-2-(2-(1H-tetrazol-5-yl)-4-pyridyl)-4-pyrimidinyl)-5-isopropyl-2-pyridinesulfonamide | CHEBI:135253 | 5.alpha.-Dihydrotestosterone | L001546 | FT-0675128 | TEZOSENTAN [VANDF] | 2-Pyridinesulfonami

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

AKOS015967353 | N-(6-(2-Hydroxyethoxy)-5-(o-methoxyphenoxy)-2-(2-(1H-tetrazol-5-yl)-4-pyridyl)-4-pyrimidinyl)-5-isopropyl-2-pyridinesulfonamide | CHEBI:135253 | 5.alpha.-Dihydrotestosterone | L001546 | FT-0675128 | TEZOSENTAN [VANDF] | 2-Pyridinesulfonami

保管条件

Room temperature

入荷

Normal

アクションタイプ

ANTAGONIST

作用メカニズム

Endothelin receptor ET-B antagonist

製品の性質

ALogP

2.4

名前と識別子

カノニカル・スマイル

CC(C)C1=CN=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=CC(=NC=C3)C4=NNN=N4)OCCO)OC5=CC=CC=C5OC

IUPAC Name

N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)pyridin-4-yl]pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide

InChIKey

TUYWTLTWNJOZNY-UHFFFAOYSA-N

INCHI

1S/C27H27N9O6S/c1-16(2)18-8-9-22(29-15-18)43(38,39)34-26-23(42-21-7-5-4-6-20(21)40-3)27(41-13-12-37)31-24(30-26)17-10-11-28-19(14-17)25-32-35-36-33-25/h4-11,14-16,37H,12-13H2,1-3H3,(H,30,31,34)(H,32,33,35,36)

異性体SMILES

CC(C)C1=CN=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=CC(=NC=C3)C4=NNN=N4)OCCO)OC5=CC=CC=C5OC

PubChem CID

151174

分子量

605.64

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinylpyrimidines
• Alternative Parents: Diarylethers Pyridinesulfonamides Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Imidolactams Organosulfonamides Aminosulfonyl compounds Heteroaromatic compounds Tetrazoles Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Primary alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridinylpyrimidine - Diaryl ether - Pyridine-2-sulfonamide - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Pyridine - Imidolactam - Benzenoid - Organosulfonic acid amide - Azole - Heteroaromatic compound - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Tetrazole - Sulfonyl - Ether - Azacycle - Primary alcohol - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Alcohol - Organopnictogen compound - Organic oxide - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as pyridinylpyrimidines. These are compounds containing a pyridinylpyrimidine skeleton, which consists of a pyridine linked (not fused) to a pyrimidine by a bond.
• External Descriptors: Not available

Data sources

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

関連ターゲット（人間）

EDNRA Tclin Endothelin-1 receptor (2 Activities)

Discover Target: EDNRA

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

EDNRB Tclin Endothelin receptor type B (1 Activities)

Discover Target: EDNRB

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

EDNRB Tclin Endothelin receptor ET-B (1928 Activities)

Discover Target: EDNRB

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

EDNRA Tclin Endothelin receptor ET-A (5008 Activities)

Discover Target: EDNRA

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

関連ターゲット（非人間）

Rattus norvegicus (775804 Activities)

Explore this target

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

作用メカニズム

化学的性質と物理的性質

• 分子量: 605.600 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 12
• Exact Mass: 605.181 Da
• Monoisotopic Mass: 605.181 Da
• Topological Polar Surface Area: 208.000 Ų
• Heavy Atom Count: 43
• Formal Charge: 0
• Complexity: 962.000
• 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

よくある質問

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 180384-57-0, the molecular formula is C27H27N9O6S, and the molecular weight is 605.64 g/mol. InChIKey TUYWTLTWNJOZNY-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.