Zimelidine dihydrochloride - Moligand™, ≥97% , Serotonin (5-HT) receptor antagonist, CAS No.61129-30-4, Serotonin (5-HT) receptor antagonist

CAS: 61129-30-4 Cat. No.: Z337892 Molecular Weight: 390.15 EC Number: 636-398-3

GRADE & PURITY Moligand™, ≥97%

Synonyms

Zimeldine hydrochloride hydrate | (Z)-3-(4-Bromophenyl)-N,N-dimethyl-3-(3-pyridinyl)-2-propen-1-amine dihydrochloride | (2Z)-3-(4-Bromophenyl)-N,N-dimethyl-3-(3-pyrindinyl)-2-propen-1-amine dihydrochloride

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Zimelidine, an antidepressant, is a specific 5-hydroxytryptamine (5-HT) reuptake inhibitor, that can be used in treating phobic anxiety. It is very effective and can be tolerated well in elderly individuals. This serotonin transport inhibitor is less likely than other antidepressants to have cardiovascular side effects. Unlike other tricyclic antidepressants, Zimelidine might promote weight loss but not weight gain.

Application：
Zimelidine dihydrochloride has been used as a serotonin transport inhibitor to study its inhibitory role in the uptake of exogenous serotonin by bipolar cells.

Specifications

Synonyms

Zimeldine hydrochloride hydrate | (Z)-3-(4-Bromophenyl)-N, N-dimethyl-3-(3-pyridinyl)-2-propen-1-amine dihydrochloride | (2Z)-3-(4-Bromophenyl)-N, N-dimethyl-3-(3-pyrindinyl)-2-propen-1-amine dihydrochloride

Specifications & Purity

Moligand™, ≥97%

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.

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Serotonin (5-HT) receptor antagonist

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CN(C)CC=C(C1=CC=C(C=C1)Br)C2=CN=CC=C2.O.Cl.Cl
• IUPAC Name: (Z)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine;hydrate;dihydrochloride
• InChIKey: WFUAVXYXJOQWAZ-GVKRCPFFSA-N
• INCHI: 1S/C16H17BrN2.2ClH.H2O/c1-19(2)11-9-16(14-4-3-10-18-12-14)13-5-7-15(17)8-6-13;;;/h3-10,12H,11H2,1-2H3;2*1H;1H2/b16-9-
• Isomeric SMILES: CN(C)C/C=C(/C1=CC=C(C=C1)Br)\C2=CN=CC=C2.O.Cl.Cl
• WGK Germany: 3
• RTECS: UC6555000
• Alternate CAS: 60525-15-7；56775-88-3（free）
• Molecular Weight: 390.15

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Styrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Styrenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Styrenes
• Alternative Parents: Bromobenzenes Pyridines and derivatives Aryl bromides Heteroaromatic compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Organobromides Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Styrene - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Pyridine - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Hydrochloride - Amine - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety.
• 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)

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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 (100 mM), and 0.1M HCl (45 mg/ml).
• Refractive Index: n20D1.60 (Predicted)
• Molecular Weight: 408.200 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 406.021 Da
• Monoisotopic Mass: 406.021 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 293.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 4

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