R-L3 - Moligand™ , Activator of K v7.1, CAS No.R613214, Activator of K v7.1

CAS: R613214 Cat. No.: R613214 PubChem CID: 656755

GRADE & PURITY Moligand™

Synonyms

GTPL2595 | L364373 | L-364373 | L-364,373 | R-L364,373 | 5-(2-FLUOROPHENYL)-1,3-DIHYDRO-3-(1H-INDOL-3-YLMETHYL)-1-METHYL-2H-1,4-BENZODIAZEPIN-2-ONE | 5-(2-Fluorophenyl)-1,3-dihydro-3-(1H-indol-3-ylmethyl)-1-methyl-2H-1,4-benzodiazepin2-one | C13824 | BDBM

Storage

Room temperature

Specifications

Synonyme

GTPL2595 | L364373 | L-364373 | L-364,373 | R-L364,373 | 5-(2-FLUOROPHENYL)-1,3-DIHYDRO-3-(1H-INDOL-3-YLMETHYL)-1-METHYL-2H-1,4-BENZODIAZEPIN-2-ONE | 5-(2-Fluorophenyl)-1,3-dihydro-3-(1H-indol-3-ylmethyl)-1-methyl-2H-1,4-benzodiazepin2-one | C13824 | BDBM

Spezifikationen & Reinheit

Moligand™

Storage

Room temperature

Note

Moligand™

Aktionsart

ACTIVATOR

Mechanismus der Wirkung

Activator of K v7.1

Namen und Kennungen

Kanonisches Lächeln

O=C1[C@H](N=C(c2c(N1C)cccc2)c1ccccc1F)Cc1c[nH]c2c1cccc2

IUPAC Name

(3R)-5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-1-methyl-3H-1,4-benzodiazepin-2-one

InChIKey

CGBANSGENFERAT-JOCHJYFZSA-N

INCHI

1S/C25H20FN3O/c1-29-23-13-7-4-10-19(23)24(18-9-2-5-11-20(18)26)28-22(25(29)30)14-16-15-27-21-12-6-3-8-17(16)21/h2-13,15,22,27H,14H2,1H3/t22-/m1/s1

Isomere SMILES

CN1C2=CC=CC=C2C(=N[C@@H](C1=O)CC3=CNC4=CC=CC=C43)C5=CC=CC=C5F

PubChem CID

656755

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Benzodiazepines
      • Subclass 1,4-benzodiazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Benzodiazepines
• Subclass: 1,4-benzodiazepines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,4-benzodiazepines
• Alternative Parents: 3-alkylindoles Alpha amino acids and derivatives Fluorobenzenes Substituted pyrroles Aryl fluorides Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,4-benzodiazepine - Alpha-amino acid or derivatives - 3-alkylindole - Indole or derivatives - Indole - Halobenzene - Fluorobenzene - Aryl fluoride - Substituted pyrrole - Aryl halide - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Pyrrole - Heteroaromatic compound - Lactam - Ketimine - Carboxamide group - Carboxylic acid derivative - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organopnictogen compound - Imine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine.
• External Descriptors: benzodiazepine

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

Zugehörige Ziele (menschlich)

KCNQ1 Tclin Potassium voltage-gated channel subfamily KQT member 1 (1 Activities)

Discover Target: KCNQ1

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

CCKBR Tclin Cholecystokinin B receptor (3550 Activities)

Discover Target: CCKBR

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

Zugehörige Ziele (nicht menschlich)

Cckar Cholecystokinin A receptor (90 Activities)

Discover Target: Cckar

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

Mus musculus (284745 Activities)

Explore this target

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

Gabrp GABA-A receptor; anion channel (5731 Activities)

Discover Target: Gabrp

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 397.400 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 397.159 Da
• Monoisotopic Mass: 397.159 Da
• Topological Polar Surface Area: 48.500 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 667.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Häufig gestellte Fragen

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 R613214. InChIKey CGBANSGENFERAT-JOCHJYFZSA-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.