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

CAS: 1622921-15-6 Cat. No.: R413800 Formula: C₁₅H₁₅BrN₄S Molecular Weight: 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

Overview

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

Synonyms

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

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

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

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Product Properties

• ALogP: 4.031
• HBD Count: 1
• Rotatable Bond: 3

Names and Identifiers

• Pubchem Sid: 528766941
• Canonical Smiles: 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
• Isomeric SMILES: C1CCC(=NNC2=NC(=CS2)C3=CC=C(C=C3)C#N)C1.Br
• PubChem CID: 86280479
• Molecular Weight: 363.28

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro DMSO: 72 mg/mL warmed with 50ºC Water: bath (198.19 mM); Water: Insoluble; Ethanol: Insoluble
• Sensitivity: Moisture sensitive.
• DMSO(mg / mL) Max Solubility: 72
• DMSO(mM) Max Solubility: 198.1942303
• Water(mg / mL) Max Solubility: ＜1
• Molecular Weight: 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