9-Hydroxyellipticine, Hydrochloride - ≥98% , CAS No.52238-35-4

CAS: 52238-35-4 Cat. No.: H339157 Molecular Weight: 298.77

GRADE & PURITY ≥98%

Synonyms

6H-Pyrido[4,3-b]carbazol-9-ol, 5,11-dimethyl-, monohydrochloride | 6KBD4FD43H | EX-A5669 | 6H-Pyrido[4, 5,11-dimethyl-, hydrochloride | 9-Hydroxyellipticine chlorohydrate | 9-Hydroxyellipticine hydrochloride | HY-101775A | UNII-6KBD4FD43H | 5,11-dimethyl-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

9-Hydroxyellipticine hydrochloride is a inhibitor of Topo II and RyR. 9-Hydroxyellipticine hydrochloride exhibits antitumor, antioxidant and catecholamine-releasing activities. 9-Hydroxyellipticine hydrochloride exhibits IC50 values of 1.6 μM and 1.2μM in Hela S-3 and 293T cells, respectively.

Specifications

Synonyms

6H-Pyrido[4, 3-b]carbazol-9-ol, 5, 11-dimethyl-, monohydrochloride | 6KBD4FD43H | EX-A5669 | 6H-Pyrido[4, 5, 11-dimethyl-, hydrochloride | 9-Hydroxyellipticine chlorohydrate | 9-Hydroxyellipticine hydrochloride | HY-101775A | UNII-6KBD4FD43H | 5, 11-dimethyl-

Specifications & Purity

≥98%

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.

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1=C2C=CN=CC2=C(C3=C1NC4=C3C=C(C=C4)O)C.Cl
• IUPAC Name: 5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol;hydrochloride
• InChIKey: DLDKVFOKLGPVBT-UHFFFAOYSA-N
• INCHI: 1S/C17H14N2O.ClH/c1-9-14-8-18-6-5-12(14)10(2)17-16(9)13-7-11(20)3-4-15(13)19-17;/h3-8,19-20H,1-2H3;1H
• Isomeric SMILES: CC1=C2C=CN=CC2=C(C3=C1NC4=C3C=C(C=C4)O)C.Cl
• Molecular Weight: 298.77
• Reaxy-Rn: 7784180
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7784180&ln=

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: Isoquinolines and derivatives Hydroxyindoles Indoles 1-hydroxy-2-unsubstituted benzenoids Pyridines and derivatives Pyrroles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Carbazole - Hydroxyindole - Isoquinoline - Indole - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Pyridine - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen 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: Soluble in PBS, and water.
• Boil Point(°C): 557.7° C at 760 mmHg (Predicted)
• Molecular Weight: 298.800 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 298.087 Da
• Monoisotopic Mass: 298.087 Da
• Topological Polar Surface Area: 48.900 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 374.000
• 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

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