Trazodone HCl - ≥98% , Serotonin 2c (5-HT2c) receptor antagonist, CAS No.25332-39-2, Serotonin 2c (5-HT2c) receptor antagonist

CAS: 25332-39-2 Cat. No.: T129695 Molecular Weight: 408.32 EC Number: 246-855-5 PubChem CID: 62935

GRADE & PURITY ≥98%

Synonyms

CHEBI:9655 | KB-831 | NCGC00094420-03 | Tombran | D00820 | Tox21_302685 | Azona | TRAZODONE HYDROCHLORIDE [WHO-DD] | Trazodone hydrochloride impurity standard | 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochlori

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Trazodone hydrochloride

Specifications

Synonyms

CHEBI:9655 | KB-831 | NCGC00094420-03 | Tombran | D00820 | Tox21_302685 | Azona | TRAZODONE HYDROCHLORIDE [WHO-DD] | Trazodone hydrochloride impurity standard | 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1, 2, 4]triazolo[4, 3-a]pyridin-3-one;hydrochlori

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

5-HT2Aand α1adrenoceptor antagonist. Enhances neuronal differentiation of mouse and human neural progenitor cells. Also inhibits PERK/eIF2α-P-mediated reduction in protein synthesis and restores memory deficits in a mouse dementia model. Antidepressant an

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Action Type

INHIBITOR

Mechanism of action

Serotonin 2c (5-HT2c) receptor antagonist

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504753894
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753894
• Canonical Smiles: C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=CC=C4)Cl.Cl
• IUPAC Name: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
• InChIKey: OHHDIOKRWWOXMT-UHFFFAOYSA-N
• INCHI: 1S/C19H22ClN5O.ClH/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25;/h1-3,5-7,9,15H,4,8,10-14H2;1H
• Isomeric SMILES: C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=CC=C4)Cl.Cl
• WGK Germany: 3
• RTECS: XZ5660000
• PubChem CID: 62935
• Molecular Weight: 408.32

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Aryl 1,2,4-triazolones Triazolopyridines Aniline and substituted anilines Dialkylarylamines Pyridinones Chlorobenzenes N-alkylpiperazines Aryl chlorides Heteroaromatic compounds Trialkylamines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives Organopnictogen compounds Organooxygen compounds Organic oxides Organochlorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - Aryl 1,2,4-triazol-3-one - Triazolopyridine - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Chlorobenzene - Pyridinone - Halobenzene - N-alkylpiperazine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Azole - Heteroaromatic compound - 1,2,4-triazole - Triazole - Tertiary amine - Tertiary aliphatic amine - Azacycle - Amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
• External Descriptors: hydrochloride

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)

HRH1 Tclin Histamine H1 receptor (0 Activities)

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SLC6A4 Tclin Sodium-dependent serotonin transporter (0 Activities)

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SIGMAR1 Tclin Sigma non-opioid intracellular receptor 1 (0 Activities)

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HTR2A Tclin 5-hydroxytryptamine receptor 2A (0 Activities)

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HTR2C Tclin 5-hydroxytryptamine receptor 2C (0 Activities)

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HTR2B Tclin 5-hydroxytryptamine receptor 2B (0 Activities)

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

KCNH2 Tclin HERG (29587 Activities)

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HLA-A Tclin HLA class I histocompatibility antigen A-3 (159 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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SMPD1 Tchem Sphingomyelin phosphodiesterase (13561 Activities)

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HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

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ABCC2 Tchem Canalicular multispecific organic anion transporter 1 (1191 Activities)

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ABCB11 Tchem Bile salt export pump (2311 Activities)

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

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ABCC3 Tbio Canalicular multispecific organic anion transporter 2 (718 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

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HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)

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GMNN Tbio Geminin (128009 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

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ABCC4 Tchem Multidrug resistance-associated protein 4 (785 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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Plasmodium falciparum (966862 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)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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FTL Ferritin light chain (43324 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:water, Max Conc. mg/mL: 8.17, Max Conc. mM: 20; Solvent:DMSO, Max Conc. mg/mL: 20.42, Max Conc. mM: 50
• Molecular Weight: 408.300 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 407.128 Da
• Monoisotopic Mass: 407.128 Da
• Topological Polar Surface Area: 42.400 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 611.000
• 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

References

1. Danyi Lu, Qian Xie, Baojian Wu.  (2017)  N-glucuronidation catalyzed by UGT1A4 and UGT2B10 in human liver microsomes: Assay optimization and substrate identification.  JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS,      [PMID:28803208] [10.1016/j.jpba.2017.07.037]

2. Yue Chen, Hai-Long Wu, Tong Wang, Ru-Qin Yu.  (2024)  A calibration model transfer method based on quadrilinear model for excitation-emission matrix fluorescence measurements on different fluorescence spectrophotometers.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2024.110053]