ML 67-33 - ≥98% , CAS No.1443290-89-8

CAS: 1443290-89-8 Cat. No.: M288094 Formula: C₁₈H₁₇Cl₂N₅ Molecular Weight: 374.27 PubChem CID: 86272454

GRADE & PURITY ≥98%

Synonyms

10-(2-(1H-Tetrazol-5-yl)ethyl)-2,7-dichloro-9,9-dimethyl-9,10-dihydroacridine | 2,7-Dichloro-9,9-dimethyl-10-[2-(1H-tetrazol-5-yl)-ethyl]-9,10-dihydro-acridine

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

ML67-33 rapidly and reversibly affects K2P2.1 (TREK-1) (EC50s: 36.3 μM and 9.7 μM in cell-free and HEK293 cells, respectively). ML67-33 is a selective activator of temperature- and mechano-sensitive K2P channels.

Specifications

Synonyms

10-(2-(1H-Tetrazol-5-yl)ethyl)-2,7-dichloro-9,9-dimethyl-9,10-dihydroacridine | 2,7-Dichloro-9,9-dimethyl-10-[2-(1H-tetrazol-5-yl)-ethyl]-9,10-dihydro-acridine

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

K2Ppotassium channel activator (EC50values are 21.8 - 29.4 μM, 30.2 μM and 27.3 μM for K2P2.1 (TREK-1), K2P10.1 (TREK-2) and K2P4.1 (TRAAK) respectively, expressed in xenopus oocytes). Increases channel currents by activating core gating apparatus of chan

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

ACTIVATOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1(C2=C(C=CC(=C2)Cl)N(C3=C1C=C(C=C3)Cl)CCC4=NNN=N4)C
• IUPAC Name: 2,7-dichloro-9,9-dimethyl-10-[2-(2H-tetrazol-5-yl)ethyl]acridine
• InChIKey: GQPMJOXQJUGJPG-UHFFFAOYSA-N
• INCHI: 1S/C18H17Cl2N5/c1-18(2)13-9-11(19)3-5-15(13)25(8-7-17-21-23-24-22-17)16-6-4-12(20)10-14(16)18/h3-6,9-10H,7-8H2,1-2H3,(H,21,22,23,24)
• Isomeric SMILES: CC1(C2=C(C=CC(=C2)Cl)N(C3=C1C=C(C=C3)Cl)CCC4=NNN=N4)C
• PubChem CID: 86272454
• Molecular Weight: 374.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Benzoquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Benzoquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Acridines
• Alternative Parents: Alkyldiarylamines Aralkylamines Benzenoids Aryl chlorides Tetrazoles Heteroaromatic compounds Azacyclic compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Acridine - Alkyldiarylamine - Tertiary aliphatic/aromatic amine - Aralkylamine - Benzenoid - Aryl halide - Aryl chloride - Heteroaromatic compound - Tetrazole - Azole - Tertiary amine - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as acridines. These are organic compounds containing the acridine moiety, a linear tricyclic heterocycle which consists of two benzene rings joined by a pyridine 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

Associated Targets(Human)

KCNK2 Tclin Potassium channel subfamily K member 2 (7 Activities)

Discover Target: KCNK2

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

KCNK10 Tclin Potassium channel subfamily K member 10 (76 Activities)

Discover Target: KCNK10

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

KCNK18 Tclin Potassium channel subfamily K member 18 (30 Activities)

Discover Target: KCNK18

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

KCNK4 Tbio Potassium channel subfamily K member 4 (18 Activities)

Discover Target: KCNK4

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

Associated Targets(non-human)

Kcnq2 Voltage-gated potassium channel subunit Kv7.2 (95 Activities)

Discover Target: Kcnq2

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

Kcnk3 Potassium channel subfamily K member 3 (21 Activities)

Discover Target: Kcnk3

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

Kcnk9 Potassium channel subfamily K member 9 (8 Activities)

Discover Target: Kcnk9

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

KCNK2 Potassium channel subfamily K member 2 (9 Activities)

Discover Target: KCNK2

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: 37.43, Max Conc. mM: 100
• Molecular Weight: 374.300 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 373.086 Da
• Monoisotopic Mass: 373.086 Da
• Topological Polar Surface Area: 57.700 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 446.000
• 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: 1

Frequently Asked Questions

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 ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. 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 1443290-89-8, the molecular formula is C??H??Cl?N?, and the molecular weight is 374.27 g/mol. InChIKey GQPMJOXQJUGJPG-UHFFFAOYSA-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.