alpha-Methyl 5-hydroxytryptamine maleate - ≥99% , CAS No.97469-12-0

CAS: 97469-12-0 Cat. No.: M275267 Molecular Weight: 306.32

GRADE & PURITY ≥99%

Synonyms

alpha-Methylserotonin maleate salt, >=98% (HPLC) | SR-01000075558-1 | AKOS024458563 | alpha-Methyl-5-hydroxytryptamine maleate salt | HMS3411E14 | alpha-Methyl-5-hydroxytryptamine maleate | (+/-)-3-(2-Aminopropyl)indol-5-ol maleate salt | 3-(2-aminopropyl

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Synonyms

alpha-Methylserotonin maleate salt, >=98% (HPLC) | SR-01000075558-1 | AKOS024458563 | alpha-Methyl-5-hydroxytryptamine maleate salt | HMS3411E14 | alpha-Methyl-5-hydroxytryptamine maleate | (+/-)-3-(2-Aminopropyl)indol-5-ol maleate salt | 3-(2-aminopropyl

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

5-HT 2A/2C receptor agonist (K i values are 4.6 and 8.3 nM, respectively in human receptors). Potent antinociceptive effects.

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

≥99%

Names and Identifiers

• Canonical Smiles: CC(CC1=CNC2=C1C=C(C=C2)O)N.C(=CC(=O)O)C(=O)O
• IUPAC Name: 3-(2-aminopropyl)-1H-indol-5-ol;(Z)-but-2-enedioic acid
• InChIKey: YQNHFSXRABPJLP-BTJKTKAUSA-N
• INCHI: 1S/C11H14N2O.C4H4O4/c1-7(12)4-8-6-13-11-3-2-9(14)5-10(8)11;5-3(6)1-2-4(7)8/h2-3,5-7,13-14H,4,12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
• Isomeric SMILES: CC(CC1=CNC2=C1C=C(C=C2)O)N.C(=C\C(=O)O)\C(=O)O
• Molecular Weight: 306.32
• Reaxy-Rn: 45014216
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=45014216&ln=

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: Serotonins
• Alternative Parents: Hydroxyindoles 3-alkylindoles Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Unsaturated fatty acids Substituted pyrroles Dicarboxylic acids and derivatives Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Serotonin - Hydroxyindole - 3-alkylindole - Indole - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Dicarboxylic acid or derivatives - Fatty acyl - Fatty acid - Benzenoid - Unsaturated fatty acid - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Organic nitrogen compound - Amine - Primary amine - Hydrocarbon derivative - Carbonyl group - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as serotonins. These are compounds containing a serotonin moiety, which consists of an indole that bears an aminoethyl a position 2 and a hydroxyl group at position 5.
• 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)

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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

BLM Tchem Bloom syndrome protein (4248 Activities)

Discover Target: BLM

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

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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

IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

Discover Target: IDH1

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

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Npsr1 Neuropeptide S receptor (260 Activities)

Discover Target: Npsr1

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

Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

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

fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)

Discover Target: fba

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water to 25 mM
• Molecular Weight: 306.310 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 306.122 Da
• Monoisotopic Mass: 306.122 Da
• Topological Polar Surface Area: 137.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 317.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 2

XLogP3