SQ-29548 - Moligand™, ≥98% , Antagonist of TP receptor, CAS No.98672-91-4, Antagonist of TP receptor

CAS: 98672-91-4 Cat. No.: S336934 分子式: C₂₁H₂₉N₃O₄ 分子量: 387.47 PubChem CID: 5311448

GRADE & PURITY Moligand™, ≥98%

Synonyms

SQ 29548 | (Z)-7-((1S,2R,3R,4R)-3-((2-(Phenylcarbamoyl)hydrazineyl)methyl)-7-oxabicyclo[2.2.1]heptan-2-yl)hept-5-enoic acid | 5-Heptenoic acid, 7-((1S,2R,3R,4R)-3-((2- ((phenylamino)carbonyl)hydrazino)methyl)-7-oxabicyclo(2.2.1)hept-2-yl)-, (5Z)- | HY

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

SQ-29548 is a compound that reversibly and competitively acts as a TXA2R (thromboxane A|2|/prostraglandin endoperoxide receptor) antagonist. Ischemic studies show that SQ 29548 significantly rescues myocardial tissue and Canine postischemic cerebral hypoperfusion studies report that SQ-29548 does not help improve postischemic cerebral hypoperfusion. SQ-29548 has been shown to bind and inhibit the thromboxane A2/prostaglandin endoperoxide receptor more potently than ONO 3708, BM 13.17, and 13-APA .

Specifications

同義語

SQ 29548 | (Z)-7-((1S,2R,3R,4R)-3-((2-(Phenylcarbamoyl)hydrazineyl)methyl)-7-oxabicyclo[2.2.1]heptan-2-yl)hept-5-enoic acid | 5-Heptenoic acid, 7-((1S,2R,3R,4R)-3-((2- ((phenylamino)carbonyl)hydrazino)methyl)-7-oxabicyclo(2.2.1)hept-2-yl)-, (5Z)- | HY

仕様と純度

Moligand™, ≥98%

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

注

Chemical can be stored as supplied for 1 year at -20° C.

純度

≥98%

製品の性質

氣のデータ

[3H]-U-46619 binding to human platelet membranes: Ki= 7.9 nM

名前と識別子

カノニカル・スマイル

C1CC2C(C(C1O2)CC=CCCCC(=O)O)CNNC(=O)NC3=CC=CC=C3

IUPAC Name

(Z)-7-[(1S,2R,3R,4R)-3-[[2-(phenylcarbamoyl)hydrazinyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid

InChIKey

RJNDVCNWVBWHLY-YVUOLYODSA-N

INCHI

1S/C21H29N3O4/c25-20(26)11-7-2-1-6-10-16-17(19-13-12-18(16)28-19)14-22-24-21(27)23-15-8-4-3-5-9-15/h1,3-6,8-9,16-19,22H,2,7,10-14H2,(H,25,26)(H2,23,24,27)/b6-1-/t16-,17+,18+,19-/m1/s1

異性体SMILES

C1C[C@@H]2[C@H]([C@H]([C@H]1O2)C/C=C\CCCC(=O)O)CNNC(=O)NC3=CC=CC=C3

WGKドイツ

3

PubChem CID

5311448

分子量

387.47

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass N-phenylureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: N-phenylureas
• Intermediate Tree Nodes: Not available
• Direct Parent: N-phenylureas
• Alternative Parents: Medium-chain fatty acids Heterocyclic fatty acids Amino fatty acids Unsaturated fatty acids Semicarbazides Oxolanes Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-phenylurea - Medium-chain fatty acid - Amino fatty acid - Heterocyclic fatty acid - Unsaturated fatty acid - Fatty acyl - Fatty acid - Oxolane - Semicarbazide - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea 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 (1 Activities)

Discover Target: TBXA2R

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in ethanol, methanol, acetonitrile, PBS pH 7.2, DMSO, dimethyl formamide , and 45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin (4.7 mg/mL). Insoluble in water.
• 屈折率: n20D1.58
• 比旋光度［α］: α22/D +19.8°, c = 1.4 in methanol(lit.)
• 分子量: 387.500 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 387.216 Da
• Monoisotopic Mass: 387.216 Da
• Topological Polar Surface Area: 99.700 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 548.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 98672-91-4, the molecular formula is C21H29N3O4, and the molecular weight is 387.47 g/mol. InChIKey RJNDVCNWVBWHLY-YVUOLYODSA-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.