CARM1-IN-1 hydrochloride - ≥95% , CAS No.2070018-31-2

CAS: 2070018-31-2 Cat. No.: C651883 Molecular Weight: 555.263646 PubChem CID: 92044367

GRADE & PURITY ≥95%

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Overview

CARM1-IN-1 hydrochloride is a potent and specific CARM1 (Coactivator-associated arginine methyltransferase 1) inhibitor with IC 50 of 8.6 uM; shows very low activity against PRMT1 and SET7.

Form:Solid

IC50& Target:PRMT4

Specifications

Specifications & Purity

≥95%

Biochemical and Physiological Mechanisms

CARM1-IN-1 hydrochloride is a potent and specific CARM1 (Coactivator-associated arginine methyltransferase 1) inhibitor with IC 50 of 8.6 uM; shows very low activity against PRMT1 and SET7.

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

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

Action Type

INHIBITOR

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1C(=CC2=CC(=C(C=C2)O)Br)C(=O)C(=CC3=CC(=C(C=C3)O)Br)CN1CC4=CC=CC=C4.Cl
• IUPAC Name: (3E,5E)-1-benzyl-3,5-bis[(3-bromo-4-hydroxyphenyl)methylidene]piperidin-4-one;hydrochloride
• InChIKey: QLPNYHLFFVKOAN-CUBOLJEZSA-N
• INCHI: 1S/C26H21Br2NO3.ClH/c27-22-12-18(6-8-24(22)30)10-20-15-29(14-17-4-2-1-3-5-17)16-21(26(20)32)11-19-7-9-25(31)23(28)13-19;/h1-13,30-31H,14-16H2;1H/b20-10+,21-11+
• Isomeric SMILES: C\1N(C/C(=C\C2=CC(=C(C=C2)O)Br)/C(=O)/C1=C/C3=CC(=C(C=C3)O)Br)CC4=CC=CC=C4.Cl
• PubChem CID: 92044367
• Molecular Weight: 555.263646

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Piperidines
      • Subclass Benzylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Benzylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-benzylpiperidines
• Alternative Parents: Phenylmethylamines O-bromophenols Benzylamines Piperidinones Bromobenzenes Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Trialkylamines Cyclic ketones Azacyclic compounds Organobromides Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-benzylpiperidine - Benzylamine - 2-halophenol - 2-bromophenol - Phenylmethylamine - Bromobenzene - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Piperidinone - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Aryl bromide - Aryl halide - Tertiary amine - Cyclic ketone - Tertiary aliphatic amine - Ketone - Azacycle - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Amine - Organic nitrogen compound - Hydrochloride - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
• 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 (169.00 mM; Need ultrasonic) H2O : <0.1 mg/mL (insoluble)