3-[2-(Dimethylamino)ethyl]-N-methyl-1H-indole-5-methanesulfonamide succinate - ≥98%(HPLC) , Serotonin 1d (5-HT1d) receptor agonist, CAS No.103628-48-4, Serotonin 1d (5-HT1d) receptor agonist

CAS: 103628-48-4 Cat. No.: S129681 Molecular Weight: 413.49 EC Number: 600-463-4 PubChem CID: 59772

GRADE & PURITY ≥98%(HPLC)

Synonyms

1-[3-(2-DIMETHYLAMINOETHYL)-1H-INDOL-5-YL]-N-METHYL-METHANESULFONAMIDE SUCCINATE | 1H-Indole-5-methanesulfonamide, 3-(2-(dimethylamino)ethyl)-N-methyl-, butanedioate (1:1) | Migratriptan | SCHEMBL41674 | 3-[2-(Dimethylamino)ethyl]-N-methyl-1H-indole-5-met

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

A selective 5-HT1 receptor agonist.

Specifications

Synonyms

1-[3-(2-DIMETHYLAMINOETHYL)-1H-INDOL-5-YL]-N-METHYL-METHANESULFONAMIDE SUCCINATE | 1H-Indole-5-methanesulfonamide, 3-(2-(dimethylamino)ethyl)-N-methyl-, butanedioate (1:1) | Migratriptan | SCHEMBL41674 | 3-[2-(Dimethylamino)ethyl]-N-methyl-1H-indole-5-met

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

Imigran succinate is a selective 5-HT1 receptor agonist with specificity towards 5-HT1D, 5-HT1B and 5-HT1A. In addition, the physicochemical properties of Imigran succinate can be characterized using FT-IR, HPLC, SEM and XRD. It has been reported that Imi

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Action Type

AGONIST

Mechanism of action

Serotonin 1d (5-HT1d) receptor agonist

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%(HPLC)

Names and Identifiers

• Pubchem Sid: 504753699
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753699
• Canonical Smiles: CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN(C)C.C(CC(=O)O)C(=O)O
• IUPAC Name: butanedioic acid;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
• InChIKey: PORMUFZNYQJOEI-UHFFFAOYSA-N
• INCHI: 1S/C14H21N3O2S.C4H6O4/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3;5-3(6)1-2-4(7)8/h4-5,8-9,15-16H,6-7,10H2,1-3H3;1-2H2,(H,5,6)(H,7,8)
• Isomeric SMILES: CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN(C)C.C(CC(=O)O)C(=O)O
• WGK Germany: 3
• RTECS: EJ9940000
• PubChem CID: 59772
• Molecular Weight: 413.49
• Reaxy-Rn: 5371868

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Tryptamines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tryptamines and derivatives
• Alternative Parents: 3-alkylindoles Aralkylamines Substituted pyrroles Benzenoids Dicarboxylic acids and derivatives Fatty acids and conjugates Organic sulfonamides Organosulfonamides Heteroaromatic compounds Aminosulfonyl compounds Trialkylamines Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Organopnictogen compounds Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Tryptamine - 3-alkylindole - Indole - Aralkylamine - Dicarboxylic acid or derivatives - Substituted pyrrole - Organic sulfonic acid amide - Organosulfonic acid amide - Fatty acid - Benzenoid - Pyrrole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Aminosulfonyl compound - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Carboxylic acid - Azacycle - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as tryptamines and derivatives. These are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring substituted at the 3-position by an ethanamine.
• External Descriptors: succinate salt

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)

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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GMNN Tbio Geminin (128009 Activities)

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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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Candida albicans (78123 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water (83 mg/ml), DMSO (83 mg/ml), and methanol (very slightly). Insoluble in ethanol, and ether
• Melt Point(°C): 165-166°C
• Molecular Weight: 413.500 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 413.162 Da
• Monoisotopic Mass: 413.162 Da
• Topological Polar Surface Area: 148.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 498.000
• 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