Corin - ≥98% , CAS No.1808113-09-8

CAS: 1808113-09-8 Cat. No.: C651720 분자식: C₂₆H₂₈N₄O₂ 분자량: 428.53 PubChem CID: 134828251

GRADE & PURITY ≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

개요

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

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

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 .

보관 조건

Store at 2-8°C

배송

Wet ice

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작업 유형

INHIBITOR

순수함

≥98%

이름과 식별자

• 정식 스마일: 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
• 분자량: 428.53

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: DMSO : 100 mg/mL (233.36 mM; Need ultrasonic)
• 분자량: 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

자주 묻는 질문

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 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. 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 1808113-09-8, the molecular formula is C26H28N4O2, and the molecular weight is 428.53 g/mol. InChIKey TYTLARZOLKJSJU-JTHBVZDNSA-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.