NTP42 - Moligand™ , Antagonist of TP receptor, CAS No.2055599-51-2, Antagonist of TP receptor

CAS: 2055599-51-2 Cat. No.: N412560 分子式: C₂₅H₂₃F₂N₃O₅S 分子量: 515.5

GRADE & PURITY Moligand™

Synonyms

EX-A3183 | ZB1624 | N-(tert-Butylcarbamoyl)-5-cyano-2-((4'-(difluoromethoxy)-[1,1'-biphenyl]-3-yl)oxy)benzenesulfonamide | MS-29570 | UNII-2057H3EG0S | 2057H3EG0S | NTP 42;NTP-42 | GTPL11537 | 1-tert-butyl-3-[5-cyano-2-[3-[4-(difluoromethoxy)phenyl]phenox

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Information

NTP42 is a novel antagonist of thromboxane A2 (TXA2) receptor with IC50 of 3.278 nM for antagonizing T prostanoid receptor (TP)- mediated [Ca2+] mobilization following stimulation of cells with the alternative TP agonist U46609. NTP42 is currently in development for the treatment of pulmonary arterial hypertension (PAH).

Specifications

同義語

EX-A3183 | ZB1624 | N-(tert-Butylcarbamoyl)-5-cyano-2-((4'-(difluoromethoxy)-[1,1'-biphenyl]-3-yl)oxy)benzenesulfonamide | MS-29570 | UNII-2057H3EG0S | 2057H3EG0S | NTP 42;NTP-42 | GTPL11537 | 1-tert-butyl-3-[5-cyano-2-[3-[4-(difluoromethoxy)phenyl]phenox

仕様と純度

Moligand™

生化学的・生理学的メカニズム

NTP42 is a novel antagonist of thromboxane A2 (TXA2) receptor with IC50 of 3.278 nM for antagonizing T prostanoid receptor (TP)- mediated [Ca2+] mobilization following stimulation of cells with the alternative TP agonist U46609. NTP42 is currently in deve

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

ANTAGONIST

作用メカニズム

Antagonist of TP receptor

名前と識別子

カノニカル・スマイル

CC(C)(C)NC(=O)NS(=O)(=O)C1=C(C=CC(=C1)C#N)OC2=CC=CC(=C2)C3=CC=C(C=C3)OC(F)F

IUPAC Name

1-tert-butyl-3-[5-cyano-2-[3-[4-(difluoromethoxy)phenyl]phenoxy]phenyl]sulfonylurea

InChIKey

RIIKDGPBTPECSW-UHFFFAOYSA-N

INCHI

1S/C25H23F2N3O5S/c1-25(2,3)29-24(31)30-36(32,33)22-13-16(15-28)7-12-21(22)34-20-6-4-5-18(14-20)17-8-10-19(11-9-17)35-23(26)27/h4-14,23H,1-3H3,(H2,29,30,31)

異性体SMILES

CC(C)(C)NC(=O)NS(=O)(=O)C1=C(C=CC(=C1)C#N)OC2=CC=CC(=C2)C3=CC=C(C=C3)OC(F)F

代替CAS番号

2055599-51-2

分子量

515.5

Reaxy-Rn

30573229

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30573229&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Biphenyls and derivatives Diarylethers Benzenesulfonamides Benzenesulfonyl compounds Phenoxy compounds Phenol ethers Benzonitriles Sulfonylureas Organosulfonic acids and derivatives Aminosulfonyl compounds Organic carbonic acids and derivatives Nitriles Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Biphenyl - Diaryl ether - Benzenesulfonamide - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Benzonitrile - Sulfonylurea - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carbonic acid derivative - Nitrile - Carbonitrile - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
• 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）

TBXA2R Tclin Thromboxane A2 receptor (0 Activities)

Discover Target: TBXA2R

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

化学的性質と物理的性質

• 分子量: 515.500 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 515.133 Da
• Monoisotopic Mass: 515.133 Da
• Topological Polar Surface Area: 126.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 888.000
• 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

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 2055599-51-2, the molecular formula is C25H23F2N3O5S, and the molecular weight is 515.5 g/mol. InChIKey RIIKDGPBTPECSW-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.