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

CAS: 180384-57-0 Cat. No.: T350112 분자식: C₂₇H₂₇N₉O₆S 분자량: 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

동의어

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

보관 조건

Room temperature

배송

Normal

작업 유형

ANTAGONIST

작동 메커니즘

Endothelin receptor ET-B antagonist

제품 특성

ALogP

2.4

이름과 식별자

정식 스마일

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)

이성체 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

분자량

605.64

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

관련 대상(인간)

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

관련 대상(비인간)

Rattus norvegicus (775804 Activities)

Explore this target

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

작용 메커니즘

화학 및 물리적 특성

• 분자량: 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

자주 묻는 질문

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.