RU 24969 hemisuccinate - ≥98% , CAS No.66611-27-6

CAS: 66611-27-6 Cat. No.: R275569 Molecular Weight: 287.34 PubChem CID: 3050530

GRADE & PURITY ≥98%

Synonyms

5-Methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole succinate(2:1) | butanedioic acid;5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole | HMS3267A17 | AKOS024458691 | 5-METHOXY-3-(1,2,5,6-TETRAHYDRO-4-PYRIDINYL)-1H-INDOLE HEMISUCCINATE | AS-47637

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

In solvent: -80°C for 6 months

Specifications

Synonyms

5-Methoxy-3-(1, 2, 3, 6-tetrahydropyridin-4-yl)-1H-indole succinate(2:1) | butanedioic acid;5-methoxy-3-(1, 2, 3, 6-tetrahydropyridin-4-yl)-1H-indole | HMS3267A17 | AKOS024458691 | 5-METHOXY-3-(1, 2, 5, 6-TETRAHYDRO-4-PYRIDINYL)-1H-INDOLE HEMISUCCINATE | AS-47637

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Potent 5-HT 1A/1B agonist (ED 50 = 236 nM). Locomotor-activating effects. Active in vitro and in vivo.

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504762381
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762381
• Canonical Smiles: COC1=CC2=C(C=C1)NC=C2C3=CCNCC3.COC1=CC2=C(C=C1)NC=C2C3=CCNCC3.C(CC(=O)O)C(=O)O
• IUPAC Name: butanedioic acid;5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
• InChIKey: BNYJLRQAWCQJOM-UHFFFAOYSA-N
• INCHI: 1S/2C14H16N2O.C4H6O4/c2*1-17-11-2-3-14-12(8-11)13(9-16-14)10-4-6-15-7-5-10;5-3(6)1-2-4(7)8/h2*2-4,8-9,15-16H,5-7H2,1H3;1-2H2,(H,5,6)(H,7,8)
• Isomeric SMILES: COC1=CC2=C(C=C1)NC=C2C3=CCNCC3.COC1=CC2=C(C=C1)NC=C2C3=CCNCC3.C(CC(=O)O)C(=O)O
• Alternate CAS: 107008-28-6
• PubChem CID: 3050530
• Molecular Weight: 287.34

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles
• Alternative Parents: Anisoles Alkyl aryl ethers Substituted pyrroles Hydropyridines Fatty acids and conjugates Dicarboxylic acids and derivatives Heteroaromatic compounds Dialkylamines Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Indole - Anisole - Phenol ether - Alkyl aryl ether - Dicarboxylic acid or derivatives - Hydropyridine - Fatty acid - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Ether - Azacycle - Secondary amine - Organic oxide - Organic oxygen compound - Amine - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
• 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(non-human)

Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Cryptococcus neoformans (21258 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water to 25 mM and in DMSO to 50 mM
• Molecular Weight: 574.700 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 574.279 Da
• Monoisotopic Mass: 574.279 Da
• Topological Polar Surface Area: 149.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 395.000
• 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: 3

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