HLCL-61 HCL - ≥98% , CAS No.1158279-20-9

CAS: 1158279-20-9 Cat. No.: H413945 Molecular Weight: 380.91 PubChem CID: 17208222

GRADE & PURITY ≥98%

Synonyms

HLCL619H-​Carbazole-​3-​methanamine,9-​ethyl-​N-​[(2-​methoxyphenyl)​methyl]​-​,hydrochloride (1:1) | 1-(9-ethyl-9H-carbazol-3-yl)-N-(2-methoxybenzyl)methanamine hydrochloride

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

HLCL-61 HCL HLCL-61 hydrochloride is a potent and selective PRMT5 inhibitor for the treatment of acute myeloid leukemia.

Targets

PRMT5 (In THP-1 cells) 16.74 μM

In vitro

HLCL-61 shows no inhibitory activity against the type I (PRMT1 and PRMT4) and type II (PRMT7) PRMT family members. HLCL-61 shows effective inhibition of symmetric arginine dimethylation (me2) of histones H3 and H4 in AML samples.Treatment of AML cell lines (MV4-11 and THP-1) and primary blasts with HLCL-61 also results in a decrease of cell viability. HLCL-61 is also effective in promoting apoptosis in MV4-11 and THP-1 cells after 48 h.

Cell Research(from reference)

Cell lines：AML cell lines 

Concentrations：25,50uM 

Incubation Time：48h 

Specifications

Synonyms

HLCL619H-​Carbazole-​3-​methanamine, 9-​ethyl-​N-​[(2-​methoxyphenyl)​methyl]​-​, hydrochloride (1:1) | 1-(9-ethyl-9H-carbazol-3-yl)-N-(2-methoxybenzyl)methanamine hydrochloride

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

HLCL-61 hydrochloride is a potent and selective PRMT5 inhibitor for the treatment of acute myeloid leukemia.

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: 5.364
• HBD Count: 1
• Rotatable Bond: 6

Names and Identifiers

• Canonical Smiles: CCN1C2=C(C=C(C=C2)CNCC3=CC=CC=C3OC)C4=CC=CC=C41.Cl
• IUPAC Name: 1-(9-ethylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
• InChIKey: XYAVCNMZZKTEGR-UHFFFAOYSA-N
• INCHI: 1S/C23H24N2O.ClH/c1-3-25-21-10-6-5-9-19(21)20-14-17(12-13-22(20)25)15-24-16-18-8-4-7-11-23(18)26-2;/h4-14,24H,3,15-16H2,1-2H3;1H
• Isomeric SMILES: CCN1C2=C(C=C(C=C2)CNCC3=CC=CC=C3OC)C4=CC=CC=C41.Cl
• PubChem CID: 17208222
• Molecular Weight: 380.91

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Carbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbazoles
• Alternative Parents: N-alkylindoles Indoles Phenylmethylamines Phenoxy compounds Methoxybenzenes Benzylamines Anisoles Aralkylamines Alkyl aryl ethers Substituted pyrroles Heteroaromatic compounds Dialkylamines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Carbazole - N-alkylindole - Indole - Phenoxy compound - Anisole - Benzylamine - Methoxybenzene - Phenylmethylamine - Phenol ether - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Secondary aliphatic amine - Ether - Secondary amine - Amine - Hydrochloride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.
• 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: 76 mg/mL (199.52 mM); Ethanol: 76 mg/mL (199.52 mM); Water: Insoluble
• Sensitivity: Moisture sensitive
• DMSO(mg / mL) Max Solubility: 76
• DMSO(mM) Max Solubility: 199.5221968
• Water(mg / mL) Max Solubility: ＜1
• Molecular Weight: 380.900 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 380.166 Da
• Monoisotopic Mass: 380.166 Da
• Topological Polar Surface Area: 26.200 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 442.000
• 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