UCL1848 - Moligand™ , Channel blocker of K Ca2.1;Channel blocker of K Ca2.2;Channel blocker of K Ca2.3, CAS No.U614617, Channel blocker of K Ca2.1;Channel blocker of K Ca2.2;Channel blocker of K Ca2.3

CAS: U614617 Cat. No.: U614617 PubChem CID: 9811445

GRADE & PURITY Moligand™

Synonyms

UCL-1848

Storage

Room temperature

Specifications

Synonyms

UCL-1848

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

CHANNEL BLOCKER

Mechanism of action

Channel blocker of K Ca2.1;Channel blocker of K Ca2.2;Channel blocker of K Ca2.3

Names and Identifiers

• Canonical Smiles: C1CCNc2cc[n+](c3c2cccc3)CCCCC[n+]2ccc(NCC1)c1ccccc21
• IUPAC Name: 1$l^{5},7$l^{5},15,21-tetraazapentacyclo[20.6.2.2^{7,14}.0^{8,13}.0^{23,28}]dotriaconta-1(28),7,9,11,13,22,24,26,29,31-decaene-1,7-bis(ylium)
• InChIKey: IOXVWOJJNCBJBX-UHFFFAOYSA-P
• INCHI: 1S/C28H32N4/c1-7-17-29-25-15-21-31(27-13-5-3-11-23(25)27)19-9-2-10-20-32-22-16-26(30-18-8-1)24-12-4-6-14-28(24)32/h3-6,11-16,21-22H,1-2,7-10,17-20H2/p+2
• Isomeric SMILES: C1CCNC2=CC=[N+](CCCCC[N+]3=CC=C(C4=CC=CC=C43)NCC1)C5=CC=CC=C25
• PubChem CID: 9811445

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Aminoquinolines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 4-aminoquinolines
• Alternative Parents: Secondary alkylarylamines Pyridinium derivatives Benzenoids Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4-aminoquinoline - Secondary aliphatic/aromatic amine - Benzenoid - Pyridinium - Pyridine - Heteroaromatic compound - Azacycle - Secondary amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Organic cation - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 4-aminoquinolines. These are organic compounds containing an amino group attached to the 4-position of a quinoline ring system.
• 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)

KCNN1 Tchem Small conductance calcium-activated potassium channel protein 1 (1 Activities)

Discover Target: KCNN1

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

KCNN3 Tchem Small conductance calcium-activated potassium channel protein 3 (1 Activities)

Discover Target: KCNN3

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

KCNN2 Tchem Small conductance calcium-activated potassium channel protein 2 (1 Activities)

Discover Target: KCNN2

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

Chemical and Physical Properties

• Molecular Weight: 426.600 g/mol
• XLogP3: 6.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 426.278 Da
• Monoisotopic Mass: 426.278 Da
• Topological Polar Surface Area: 31.800 Ų
• Heavy Atom Count: 32
• Formal Charge: 2
• Complexity: 508.000
• 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

How should this product be stored?

Store at room temperature.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is U614617. InChIKey IOXVWOJJNCBJBX-UHFFFAOYSA-P.

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.