MKI-1 - ≥98% , CAS No.1190277-80-5

CAS: 1190277-80-5 Cat. No.: M646554 分子式: C₁₈H₁₄N₄O 分子量: 302.33 PubChem CID: 27649598

グレード＆純度 ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

MKI-1, an inhibitor of MASTL (microtubule-associated serine/threonine kinase-like) with an IC 50 of 9.9 μM, exerts antitumor and radiosensitizer activities through PP2A activation in breast cancer.

In Vitro

MKI-1 (5-20 μM) inhibits the activity of MASTL in breast cancer cells. MKI-1 (100 μM, 72 h) inhibits various oncogenic properties of breast cancer cells but showed much weaker effects on the viability of normal breast cells. MKI-1 clearly reduces both serine 62-phosphorylation of c-Myc and total c-Myc, with a decrease in ENSA phosphorylation. MKI-1 (20 μM, 16 h) reduces c-Myc stability through PP2A activation in MCF7 cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Western Blot AnalysisCell Line: MCF7 and T47D cells. Concentration: 5-20 μM. Incubation Time: 24 h. Result: Inhibited the phosphorylation of ENSA in MCF7 and T47D cells. Significantly inhibited the phosphorylation of ENSA in mitotic cells.

In Vivo

MKI-1 (50 mg/kg, ip, twice a week) reduces tumor growth and enhances the radiosensitivity of BT549 xenograft model in response to 6 Gy irradiation compared with the control group, with no notable changes in body weight, suggesting the absence of gross toxicity in the treated mice . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Five-week-old female BALB/c nude mice (BT549 cells) . Dosage: 50 mg/kg. Administration: Twice per week by intraperitoneal (i.p.) injection. Result: Reduced tumor growth.

Form:Solid

仕様

仕様と純度

≥98%

生化学的・生理学的メカニズム

MKI-1, an inhibitor of MASTL (microtubule-associated serine/threonine kinase-like) with an IC 50 of 9.9 μM, exerts antitumor and radiosensitizer activities through PP2A activation in breast cancer.

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。

アクションタイプ

INHIBITOR

純度

≥98%

名前と識別子

カノニカル・スマイル

C1=CC=C2C(=C1)NC(=N2)NC(=O)C3=CC(=CC=C3)N4C=CC=C4

IUPAC Name

N-(1H-benzimidazol-2-yl)-3-pyrrol-1-ylbenzamide

InChIKey

XKDZPQAMBMLCDQ-UHFFFAOYSA-N

INCHI

1S/C18H14N4O/c23-17(21-18-19-15-8-1-2-9-16(15)20-18)13-6-5-7-14(12-13)22-10-3-4-11-22/h1-12H,(H2,19,20,21,23)

異性体SMILES

C1=CC=C2C(=C1)NC(=N2)NC(=O)C3=CC(=CC=C3)N4C=CC=C4

PubChem CID

27649598

分子量

302.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Pyrroles
      • Subclass Substituted pyrroles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Pyrroles
• Subclass: Substituted pyrroles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrroles
• Alternative Parents: Benzimidazoles Benzamides Benzoyl derivatives Imidazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-phenylpyrrole - Benzamide - Benzimidazole - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN 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

化学的性質と物理的性質

• 溶解度: DMSO : 250 mg/mL (826.91 mM; Need ultrasonic)
• 分子量: 302.300 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 302.117 Da
• Monoisotopic Mass: 302.117 Da
• Topological Polar Surface Area: 62.700 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 423.000
• 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?

This product is supplied at ≥98% purity (chemical assay). 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 1190277-80-5, the molecular formula is C18H14N4O, and the molecular weight is 302.33 g/mol. InChIKey XKDZPQAMBMLCDQ-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.