Remodelin hydrobromide - ≥98% , CAS No.1622921-15-6

CAS: 1622921-15-6 Cat. No.: R413800 分子式: C₁₅H₁₅BrN₄S 分子量: 363.28 PubChem CID: 86280479

GRADE & PURITY ≥98%

Synonyms

Remodelin HBr4-[2-(2-cyclopentylidenehydrazinyl)-4-thiazolyl]-benzonitrile,hydrobromide (1:1)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Information

Remodelin hydrobromide Remodelin hydrobromide (HBr) is a potent acetyl-transferase NAT10 inhibitor.

Targets

NAT10

In vitro

Remodelin, via inhibition of NAT10, mediates nuclear shape rescue of LMNA depleted cells by microtubule reorganization, and improves nuclear shape and fitness of HGPS cells. Remodelin may thus provide opportunities for alleviating dystrophic and premature-ageing diseases.

Specifications

同義語

Remodelin HBr4-[2-(2-cyclopentylidenehydrazinyl)-4-thiazolyl]-benzonitrile,hydrobromide (1:1)

仕様と純度

≥98%

生化学的・生理学的メカニズム

Remodelin hydrobromide (HBr) is a potent acetyl-transferase NAT10 inhibitor.

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%

製品の性質

• ALogP: 4.031
• HBD数: 1
• 回転可能な結合: 3

名前と識別子

• パブケム・シド: 528766941
• カノニカル・スマイル: C1CCC(=NNC2=NC(=CS2)C3=CC=C(C=C3)C#N)C1.Br
• IUPAC Name: 4-[2-(2-cyclopentylidenehydrazinyl)-1,3-thiazol-4-yl]benzonitrile;hydrobromide
• InChIKey: XNWBCMSPDCSWSD-UHFFFAOYSA-N
• INCHI: 1S/C15H14N4S.BrH/c16-9-11-5-7-12(8-6-11)14-10-20-15(17-14)19-18-13-3-1-2-4-13;/h5-8,10H,1-4H2,(H,17,19);1H
• 異性体SMILES: C1CCC(=NNC2=NC(=CS2)C3=CC=C(C=C3)C#N)C1.Br
• PubChem CID: 86280479
• 分子量: 363.28

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzonitriles
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzonitriles
• Alternative Parents: 2,4-disubstituted thiazoles Heteroaromatic compounds Nitriles Hydrazones Azacyclic compounds Hydrocarbon derivatives Hydrobromides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzonitrile - 2,4-disubstituted 1,3-thiazole - Azole - Thiazole - Heteroaromatic compound - Organoheterocyclic compound - Nitrile - Carbonitrile - Hydrazone - Azacycle - Hydrobromide - Organonitrogen compound - Cyanide - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
• 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: Solubility (25°C) In vitro DMSO: 72 mg/mL warmed with 50ºC Water: bath (198.19 mM); Water: Insoluble; Ethanol: Insoluble
• 感度: Moisture sensitive.
• DMSO（mg / mL） 最大溶解度: 72
• DMSO（mM） 最大溶解度: 198.1942303
• 水（mg / mL） 最大溶解度: ＜1
• 分子量: 363.300 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 362.02 Da
• Monoisotopic Mass: 362.02 Da
• Topological Polar Surface Area: 89.300 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 397.000
• 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: 2

XLogP3