Elacridar hydrochloride - ≥98%(HPLC) , CAS No.143851-98-3

CAS: 143851-98-3 Cat. No.: E288324 Molecular Weight: 600.1

GRADE & PURITY ≥98%(HPLC)

Synonyms

C23H21N5O3.HCl | Elacridarhydrochloride | 4-Acridinecarboxamide, N-(4-(2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl)phenyl)-9,10-dihydro-5-methoxy-9-oxo-, monohydrochloride | Elacridar hydrochloride | 4-Acridinecarboxamide, N-(4-(2-(3,4-dihydro-

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Elacridar hydrochloride (GF120918A) is a potent P-glycoprotein (Pgp) and BCRP inhibitor.

Specifications

Synonyms

C23H21N5O3.HCl | Elacridarhydrochloride | 4-Acridinecarboxamide, N-(4-(2-(3, 4-dihydro-6, 7-dimethoxy-2(1H)-isoquinolinyl)ethyl)phenyl)-9, 10-dihydro-5-methoxy-9-oxo-, monohydrochloride | Elacridar hydrochloride | 4-Acridinecarboxamide, N-(4-(2-(3, 4-dihydro-

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

P-glycoprotein (P-gp/ABCG1) inhibitor. Blocks P-gp-mediated multidrug resistance (MDR) of the cytotoxic drugsdoxorubicin andvincristine in CHRC5 cells. Also inhibits breast cancer resistance protein (BCRP/ABCG2).

Storage

Store at -20°C, Argon charged

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%(HPLC)

Names and Identifiers

• Pubchem Sid: 504757649
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757649
• Canonical Smiles: COC1=CC=CC2=C1NC3=C(C2=O)C=CC=C3C(=O)NC4=CC=C(C=C4)CCN5CCC6=CC(=C(C=C6C5)OC)OC.Cl
• IUPAC Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-5-methoxy-9-oxo-10H-acridine-4-carboxamide;hydrochloride
• InChIKey: IQOJZZHRYSSFJM-UHFFFAOYSA-N
• INCHI: 1S/C34H33N3O5.ClH/c1-40-28-9-5-7-26-32(28)36-31-25(33(26)38)6-4-8-27(31)34(39)35-24-12-10-21(11-13-24)14-16-37-17-15-22-18-29(41-2)30(42-3)19-23(22)20-37;/h4-13,18-19H,14-17,20H2,1-3H3,(H,35,39)(H,36,38);1H
• Isomeric SMILES: COC1=CC=CC2=C1NC3=C(C2=O)C=CC=C3C(=O)NC4=CC=C(C=C4)CCN5CCC6=CC(=C(C=C6C5)OC)OC.Cl
• Molecular Weight: 600.1
• Reaxy-Rn: 10322616
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10322616&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Benzoquinolines
        • Level5 Acridines
          • Level6 Acridones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Benzoquinolines
• Intermediate Tree Nodes: Acridines
• Direct Parent: Acridones
• Alternative Parents: Aromatic anilides Quinoline carboxamides Hydroquinolones Tetrahydroisoquinolines Hydroquinolines Phenethylamines Anisoles Alkyl aryl ethers Aralkylamines Pyridines and derivatives Heteroaromatic compounds Vinylogous amides Secondary carboxylic acid amides Trialkylamines Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Acridone - Aromatic anilide - Quinoline-8-carboxamide - Dihydroquinolone - Tetrahydroisoquinoline - Dihydroquinoline - Phenethylamine - Anisole - Alkyl aryl ether - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Pyridine - Vinylogous amide - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Azacycle - Carboxylic acid derivative - Ether - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Hydrochloride - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as acridones. These are acridines containing a ketone group attached to the C9 carbon atom of the acridine moiety.
• 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

Associated Targets(Human)

ABCB1 Tchem Multidrug resistance protein 1 (2 Activities)

Discover Target: ABCB1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ABCG2 Tchem ATP-binding cassette sub-family G member 2 (4927 Activities)

Discover Target: ABCG2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Abcb1b P-glycoprotein 1 (174 Activities)

Discover Target: Abcb1b

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 12, Max Conc. mM: 20
• Sensitivity: Moisture sensitive
• Molecular Weight: 600.100 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 599.219 Da
• Monoisotopic Mass: 599.219 Da
• Topological Polar Surface Area: 89.100 Ų
• Heavy Atom Count: 43
• Formal Charge: 0
• Complexity: 925.000
• 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