Tiplaxtinin - ≥98%(HPLC) , CAS No.393105-53-8

CAS: 393105-53-8 Cat. No.: T287897 分子式: C₂₄H₁₆F₃NO₄ 分子量: 439.38 EC番号: 110-173-5 PubChem CID: 6450819

グレード＆純度 ≥98%(HPLC)

Synonyms

PAI-039 | WAY-168039 | 2-[1-benzyl-5-[4-(trifluoromethoxy)phenyl]indol-3-yl]-2-oxoacetic acid | FT-0700303 | HY-15253 | Tiplasinin [USAN:INN] | A14190 | Tiplasinin (USAN) | 2-[1-benzyl-5-[4-(triluoromethoxy)phenyl]indol-3-yl]-2-oxoacetic acid | CHEBI:1777

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

仕様

同義語

PAI-039 | WAY-168039 | 2-[1-benzyl-5-[4-(trifluoromethoxy)phenyl]indol-3-yl]-2-oxoacetic acid | FT-0700303 | HY-15253 | Tiplasinin [USAN:INN] | A14190 | Tiplasinin (USAN) | 2-[1-benzyl-5-[4-(triluoromethoxy)phenyl]indol-3-yl]-2-oxoacetic acid | CHEBI:1777

仕様と純度

≥98%(HPLC)

生化学的・生理学的メカニズム

Plasminogen activator inhibitor-1 (PAI-1) inhibitor (IC50= 2.7μM). Induces vascular smooth muscle cell apoptosisin vitroand reduces carotid artery neointimal formation in a rat vascular injury model. Promotes thrombolysis in rat and dog models of acute ar

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。

純度

≥98%(HPLC)

名前と識別子

パブケム・シド

504764206

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504764206

カノニカル・スマイル

C1=CC=C(C=C1)CN2C=C(C3=C2C=CC(=C3)C4=CC=C(C=C4)OC(F)(F)F)C(=O)C(=O)O

IUPAC Name

2-[1-benzyl-5-[4-(trifluoromethoxy)phenyl]indol-3-yl]-2-oxoacetic acid

InChIKey

ODXQFEWQSHNQNI-UHFFFAOYSA-N

INCHI

1S/C24H16F3NO4/c25-24(26,27)32-18-9-6-16(7-10-18)17-8-11-21-19(12-17)20(22(29)23(30)31)14-28(21)13-15-4-2-1-3-5-15/h1-12,14H,13H2,(H,30,31)

異性体SMILES

C1=CC=C(C=C1)CN2C=C(C3=C2C=CC(=C3)C4=CC=C(C=C4)OC(F)(F)F)C(=O)C(=O)O

PubChem CID

6450819

分子量

439.38

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Indoles and derivatives
      • Subclass Indolyl carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Indoles and derivatives
• Subclass: Indolyl carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indole-3-acetic acid derivatives
• Alternative Parents: N-alkylindoles Indoles Phenoxy compounds Phenol ethers Aryl ketones Substituted pyrroles Alpha-keto acids and derivatives Vinylogous amides Alpha-hydroxy ketones Heteroaromatic compounds Trihalomethanes Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Alkyl fluorides Organic oxides Organonitrogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole-3-acetic acid derivative - N-alkylindole - Indole - Phenol ether - Phenoxy compound - Aryl ketone - Alpha-keto acid - Substituted pyrrole - Benzenoid - Keto acid - Monocyclic benzene moiety - Alpha-hydroxy ketone - Vinylogous amide - Heteroaromatic compound - Pyrrole - Ketone - Trihalomethane - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Halomethane - Alkyl halide - Alkyl fluoride - Carbonyl group - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as indole-3-acetic acid derivatives. These are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole.
• 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）

SERPINE1 Tchem Plasminogen activator inhibitor-1 (498 Activities)

Discover Target: SERPINE1

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

YES1 Tclin Tyrosine-protein kinase YES (2781 Activities)

Discover Target: YES1

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関連ターゲット（非人間）

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Staphylococcus epidermidis (22802 Activities)

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Escherichia coli (133304 Activities)

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Enterococcus faecium (13803 Activities)

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Bacillus subtilis (32866 Activities)

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Enterococcus faecalis (29875 Activities)

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Canis familiaris (36305 Activities)

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Rattus norvegicus (775804 Activities)

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ftsZ Cell division protein FtsZ (54 Activities)

Discover Target: ftsZ

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Solvent:DMSO, Max Conc. mg/mL: 43.94, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 43.94, Max Conc. mM: 100
• 分子量: 439.400 g/mol
• XLogP3: 5.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 439.103 Da
• Monoisotopic Mass: 439.103 Da
• Topological Polar Surface Area: 68.500 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 671.000
• 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 the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

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 393105-53-8, the molecular formula is C24H16F3NO4, and the molecular weight is 439.38 g/mol. InChIKey ODXQFEWQSHNQNI-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.