MKT 077 - ≥98%以上(HPLC) , CAS No.147366-41-4

CAS: 147366-41-4 Cat. No.: M288520 分子式: C₂₁H₂₂ClN₃OS₂ 分子量: 432

GRADE & PURITY ≥98%(HPLC)

Synonyms

FJ-776 | Pyridinium, 1-ethyl-2-[[3-ethyl-5-(3-methyl-2(3H)-benzothiazolylidene)-4-oxo-2-thiazolidinylidene]methyl]-, chloride (1:1) | Mkt 077 | 8PF5ZXI0JE | A12388 | EX-A3230 | HY-15096 | Pyridinium, 1-ethyl-2-((3-ethyl-5-(3-methyl-2(3H)-benzothiazolylide

Storage

20℃で保存

Shipped In

アイスチェスト＋アイスパッド

概要

製品概要

MKT-077（FJ-776）は、新たに合成された高水溶性のロダシアニン色素で、様々なモデル系において顕著な抗腫瘍活性を示す。

Specifications

同義語

FJ-776 | Pyridinium, 1-ethyl-2-[[3-ethyl-5-(3-methyl-2(3H)-benzothiazolylidene)-4-oxo-2-thiazolidinylidene]methyl]-, chloride (1:1) | Mkt 077 | 8PF5ZXI0JE | A12388 | EX-A3230 | HY-15096 | Pyridinium, 1-ethyl-2-((3-ethyl-5-(3-methyl-2(3H)-benzothiazolylide

仕様と純度

≥98%以上(HPLC)

生化学的・生理学的メカニズム

Hsp70ファミリーの一員であるmortalin-2 (mot-2)のp53結合部位を占拠し、p53の核へのトランスロケーションを可能にする。選択的に細胞毒性を示し、培養がん細胞の増殖停止を引き起こす。また、テロメラーゼ活性を阻害し、F-acを架橋する。

保管条件

20℃で保存

入荷

アイスチェスト＋アイスパッド

純度

≥98%(HPLC)

名前と識別子

• パブケム・シド: 504764201
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504764201
• カノニカル・スマイル: CCN1C(=CC2=CC=CC=[N+]2CC)SC(=C3N(C4=CC=CC=C4S3)C)C1=O.[Cl-]
• IUPAC Name: (2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;chloride
• InChIKey: VSKYOTRJSLYFHX-UXJRWBAGSA-M
• INCHI: 1S/C21H22N3OS2.ClH/c1-4-23-13-9-8-10-15(23)14-18-24(5-2)20(25)19(27-18)21-22(3)16-11-6-7-12-17(16)26-21;/h6-14H,4-5H2,1-3H3;1H/q+1;/p-1/b21-19+
• 異性体SMILES: CCN1/C(=C/C2=CC=CC=[N+]2CC)/S/C(=C/3\N(C4=CC=CC=C4S3)C)/C1=O.[Cl-]
• WGKドイツ: 3
• RTECS: UU4023332
• 分子量: 432
• Reaxy-Rn: 11076267
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11076267&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Benzothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazoles
• Alternative Parents: Aryl thioethers Pyridinium derivatives Benzenoids Vinylogous amides Thiazoles Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzo-thiazole - 1,2-benzothiazole - 1,3-benzothiazole - Aryl thioether - Pyridine - Pyridinium - Benzenoid - Azole - Thiazole - Heteroaromatic compound - Vinylogous amide - Lactam - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic salt - Organic oxygen compound - Organic chloride salt - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
• 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

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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:water, Max Conc. mg/mL: 21.6, Max Conc. mM: 50; Solvent:DMSO, Max Conc. mg/mL: 21.6, Max Conc. mM: 50
• 分子量: 432.000 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 431.089 Da
• Monoisotopic Mass: 431.089 Da
• Topological Polar Surface Area: 78.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 647.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 2

XLogP3

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 147366-41-4, the molecular formula is C21H22N3OS2Cl, and the molecular weight is 432 g/mol. InChIKey VSKYOTRJSLYFHX-UXJRWBAGSA-M.

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.