Sertraline HCl - ≥98%(HPLC) , CAS No.79559-97-0

CAS: 79559-97-0 Cat. No.: S129789 Summenformel: C₁₇H₁₇Cl₂N.HCl Molekulargewicht: 342.69 EG-Nummer: 616-702-0

QUALITÄT & REINHEIT ≥98%(HPLC)

Synonyms

Sertraline hydrochloride [USAN]|Sertraline hydrochloride- Bio-X|Atruline|Sertraline Hydrochloride (1S-cis)-Isomer|Zoloft (TN)|1-Naphthalenamine, 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-, hydrochloride, (1S-cis)-|Hydrochloride, Sertraline|Sertraline for system suitability|SERTRALINE HYDROCHLORIDE [ORANGE BOOK]|SERTRALINE HYDROCHLORIDE [EP IMPURITY]|SERTRALINE HYDROCHLORIDE [WHO-DD]|SERTRALINE HYDROCHLORIDE [JAN]|(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride|Sertraline (as hydrochloride)|Tatig|(+/-)-Sertraline Hydrochloride|(1R,4S)-Sertraline Hydrochloride|Sertraline HCl|SERTRALINE HYDROCHLORIDE (USP MONOGRAPH)|(1S-cis)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine hydrochloride|(+)-sertraline hydrochloride|(1S,4S)-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine hydrochloride|Lustral|SERTRALINE HYDROCHLORIDE [VANDF]|Serlift|SERTRALINE HYDROCHLORIDE [USP-RS]|SERTRALINE HYDROCHLORIDE (MART.)|SERTRALINE HYDROCHLORIDE (USP-RS)|(1S,4S)-1-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-4-(methylamino)naphthalene Hydrochloride|Serad|SERTRALINE HYDROCHLORIDE (EP MONOGRAPH)|Sertraline.HCl|(1R,4S)-SERTRALINE HCL|(1RS,4SR)-4-(3,4-Dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine Hydrochloride|(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-aminium chloride|(+)-cis-(1S,4S)-1-methylamino-4-(3,4-dichlorophenyl)tetralin hydrochloride|rac-cis-Sertraline Hydrochloride|CP-51974-1|Sertraline hydrochloride|CP-51974-1 HCl|SERTRALINE HYDROCHLORIDE [MI]|Sertraline for peak identification|Zoloft|Sertraline hydrochloride (USAN:USP)|Pharmakon1600-01505262|Sertraline hydrochloride (JAN/USP)|Sertraline hydrochloride impurity Standard|C17H17Cl2N.HCl|SERTRALINE HYDROCHLORIDE (EP IMPURITY)|SERTRALINE HYDROCHLORIDE [MART.]|SERTRALINE HYDROCHLORIDE [USP MONOGRAPH]|(1S-cis)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride|Aremis|SERTRALINE HYDRECHLORIDE|CP-5197401|Sertraline hydrochloride [USAN:USP]|Gladem|Sertraline (hydrochloride)|Cis-N-Methyl-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenaminehydrochloride|(1S,4S)-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthylamine hydrochloride|Adjuvin

Storage

Store at 2-8°C

Shipped In

Wet ice

Übersicht

Sertraline HCl is a 5-HT antagonist with Ki of 13 nM.
A selective ST inhibitor.

Spezifikationen

Synonyme

Sertraline hydrochloride [USAN] | Sertraline hydrochloride- Bio-X | Atruline | Sertraline Hydrochloride (1S-cis)-Isomer | Zoloft (TN) | 1-Naphthalenamine, 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-, hydrochloride, (1S-cis)- | Hydrochloride, Sertraline | Sertraline for system suitability | SERTRALINE HYDROCHLORIDE [ORANGE BOOK] | Show more

Spezifikationen & Reinheit

≥98%(HPLC)

Biochemische und physiologische Mechanismen

Sertraline HCl is a selective and potent inhibitor of ST (serotonin transporter), increasing availability of serotonin in the brain. Sertraline displays antiproliferative activity on human colorectal carcinoma cells.Selective serotonin reuptake inhibitor

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Hinweis

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.

Reinheit

≥98%(HPLC)

Namen und Kennungen

Pubchem Sid

504753902

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753902

Kanonisches Lächeln

CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl.Cl

IUPAC Name

(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride

InChIKey

BLFQGGGGFNSJKA-XHXSRVRCSA-N

INCHI

1S/C17H17Cl2N.ClH/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11;/h2-6,8,10,12,17,20H,7,9H2,1H3;1H/t12-,17-;/m0./s1

Isomere SMILES

CN[C@H]1CC[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl.Cl

WGK Deutschland

3

RTECS

QJ0352070

Alternative CAS-Nummer

79617-96-2；79617-95-1，79617-89-3

Molekulargewicht

342.69

Reaxy-Rn

5783715

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Tetralins
      • Subclass Tametralines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Tetralins
• Subclass: Tametralines
• Intermediate Tree Nodes: Not available
• Direct Parent: Tametralines
• Alternative Parents: Dichlorobenzenes Aralkylamines Aryl chlorides Dialkylamines Organopnictogen compounds Organochlorides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Tametraline - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Secondary aliphatic amine - Secondary amine - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Amine - Organonitrogen compound - Hydrochloride - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as tametralines. These are compounds containing a tametraline moiety, which consists of a tetrahydronaphthalene linked to a phenyl group to form N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine skeleton.
• 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

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CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

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SLC6A2 Tclin Norepinephrine transporter (10102 Activities)

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SLC6A4 Tclin Serotonin transporter (12625 Activities)

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SLC6A3 Tclin Dopamine transporter (10535 Activities)

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KCNH2 Tclin HERG (29587 Activities)

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GBA1 Tclin Beta-glucocerebrosidase (14647 Activities)

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ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)

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NFKB1 Tclin Nuclear factor NF-kappa-B p105 subunit (1459 Activities)

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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

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ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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HEK293 (82097 Activities)

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HepG2 (196354 Activities)

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UBE2N Tchem Ubiquitin-conjugating enzyme E2 N (1570 Activities)

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

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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SMN1 Tchem Survival motor neuron protein (34246 Activities)

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LMNA Tbio Prelamin-A/C (36751 Activities)

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THPO Tbio Thrombopoietin (834 Activities)

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SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

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GMNN Tbio Geminin (128009 Activities)

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PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

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KMT2A Tchem Histone-lysine N-methyltransferase MLL (17327 Activities)

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microRNA 21 (64692 Activities)

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

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

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ATXN2 Tbio Ataxin-2 (54410 Activities)

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

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MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

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Mapk1 MAP kinase ERK2 (650 Activities)

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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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Trichomonas vaginalis (2376 Activities)

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lef Anthrax lethal factor (7585 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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Impa1 Inositol monophosphatase 1 (16203 Activities)

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FTL Ferritin light chain (43324 Activities)

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NS1 Nonstructural protein 1 (33327 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in DMSO (>25 mg/ml), ethanol (10 mg/ml), water (3 mg/ml), 0.1N HCl (0.51 mg/ml), isopropyl alcohol (4.3 mg/ml), chloroform (110 mg/ml), and dimethylsulfoxide (147 mg/ml).
• Empfindlichkeit: Moisture sensitive.
• Spezifische Drehung [α]: 38°C
• Schmelzpunkt (°C): 245°C
• Molekulargewicht: 342.700 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 341.05 Da
• Monoisotopic Mass: 341.05 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 322.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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