Corin - ≥98% , CAS No.1808113-09-8

CAS: 1808113-09-8 Cat. No.: C651720 Molecular Weight: 428.53 PubChem CID: 134828251

GRADE & PURITY ≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Corin is a dual inhibitor of histone lysine specific demethylase (LSD1) and histone deacetylase (HDAC) , with a K i (inact) of 110 nM for LSD1 and an IC 50 of 147 nM for HDAC1 .

In Vitro

Corin is able to inhibit the deacetylation of semisynthetic, reconstituted nucleosomes by the CoREST ternary complex. Corin shows irreversible inhibition of HDAC1 activity. In Comparison to MS-275, corin appears to more potently (Corin EC 50 95 nM vs. MS-275 EC 50 420 nM) and efficaciously induce cellular H3K9 acetylation. Interestingly, Corin (1 μM) is non-toxic to primary human melanocytes in contrast to MS-275 (1 μM). MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:IC50: 147 nM (HDAC1), Ki(inact): 110 nM (LSD1)

Specifications

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Corin is a dual inhibitor of histone lysine specific demethylase (LSD1) and histone deacetylase (HDAC) , with a K i (inact) of 110 nM for LSD1 and an IC 50 of 147 nM for HDAC1 .

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1C(C1N)C2=CC=C(C=C2)NC(=O)CCCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N
• IUPAC Name: 4-[4-[4-[(1S,2R)-2-aminocyclopropyl]anilino]-4-oxobutyl]-N-(2-aminophenyl)benzamide
• InChIKey: TYTLARZOLKJSJU-JTHBVZDNSA-N
• INCHI: 1S/C26H28N4O2/c27-22-5-1-2-6-24(22)30-26(32)19-10-8-17(9-11-19)4-3-7-25(31)29-20-14-12-18(13-15-20)21-16-23(21)28/h1-2,5-6,8-15,21,23H,3-4,7,16,27-28H2,(H,29,31)(H,30,32)/t21-,23+/m0/s1
• PubChem CID: 134828251
• Molecular Weight: 428.53

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Benzamides N-arylamides Benzoyl derivatives N-acyl amines Amino acids and derivatives Carboxylic acid amides Organopnictogen compounds Organooxygen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzanilide - Benzoic acid or derivatives - Benzamide - N-arylamide - Benzoyl - Fatty acyl - N-acyl-amine - Fatty amide - Carboxamide group - Amino acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• 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: DMSO : 100 mg/mL (233.36 mM; Need ultrasonic)
• Molecular Weight: 428.500 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 428.221 Da
• Monoisotopic Mass: 428.221 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 625.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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