Maprotilina - Moligand™, ≥98% , Channel blocker of K ir3.2;Channel blocker of K ir3.4;Inhibitor of NET;Channel blocker of TRPM3, CAS No.10262-69-8, Channel blocker of K ir3.2;Channel blocker of K ir3.4;Inhibitor of NET;Channel blocker of TRPM3

CAS: 10262-69-8 Cat. No.: M338146 Fórmula: C₂₀H₂₃N Peso molecular: 277.40 Beilstein Registry Number: 2385493 Número CE: 233-599-4

GRADE & PURITY Moligand™, ≥98%

Synonyms

Maprotylina | DB00934 | 3-(9,10-ethanoanthracen-9(10H)-yl)-N-methylpropan-1-amine | NCGC00015708-05 | NCGC00015708-11 | BDBM50378025 | HMS2089K11 | NCGC00015708-13 | NCGC00015708-02 | NCGC00016691-01 | SPBio_002332 | KBio2_001367 | Maprotilina [INN-Spanis

Storage

Armazenar a 2-8°C

Shipped In

Gelo húmido

Visão geral

Maprotiline is a highly selective noradrenergic reuptake inhibitor that has strong antidepressant, antitumor and neuropathic pain-relieving effects. Maprotiline induces cancer cell apoptosis by targeting the ERK signaling pathway and CRABP1

Specifications

Sinónimos

Maprotylina | DB00934 | 3-(9,10-ethanoanthracen-9(10H)-yl)-N-methylpropan-1-amine | NCGC00015708-05 | NCGC00015708-11 | BDBM50378025 | HMS2089K11 | NCGC00015708-13 | NCGC00015708-02 | NCGC00016691-01 | SPBio_002332 | KBio2_001367 | Maprotilina [INN-Spanis

Especificações e pureza

Moligand™, ≥98%

Condições de armazenamento de armazenamento

Armazenar a 2-8°C

Enviado em

Gelo húmido

Grau

Moligand™

Tipo de ação

CHANNEL BLOCKER, INHIBITOR

Mecanismo de ação

Channel blocker of K ir3.2;Channel blocker of K ir3.4;Inhibitor of NET;Channel blocker of TRPM3

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

528776563

Sorrisos canónicos

CNCCCC12CCC(C3=CC=CC=C31)C4=CC=CC=C24

IUPAC Name

N-methyl-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine

InChIKey

QSLMDECMDJKHMQ-UHFFFAOYSA-N

INCHI

1S/C20H23N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15,21H,6,11-14H2,1H3

SMILES isoméricas

CNCCCC12CCC(C3=CC=CC=C31)C4=CC=CC=C24

CAS alternativo

10347-81-6

Peso molecular

277.40

Beilstein

2385493

Reaxy-Rn

2385493

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2385493&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Anthracenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Anthracenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthracenes
• Alternative Parents: Tetralins Aralkylamines Dialkylamines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Anthracene - Tetralin - Aralkylamine - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic homopolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings.
• External Descriptors: anthracenes

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

Alvos associados (humanos)

TRPM3 Tchem Transient receptor potential cation channel subfamily M member 3 (1 Activities)

Discover Target: TRPM3

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

KCNJ6 Tchem G protein-activated inward rectifier potassium channel 2 (1 Activities)

Discover Target: KCNJ6

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

HRH1 Tclin Histamine H1 receptor (3 Activities)

Discover Target: HRH1

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

SLC6A2 Tclin Sodium-dependent noradrenaline transporter (4 Activities)

Discover Target: SLC6A2

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

CHRM3 Tclin Muscarinic acetylcholine receptor M3 (1 Activities)

Discover Target: CHRM3

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

CHRM4 Tclin Muscarinic acetylcholine receptor M4 (1 Activities)

Discover Target: CHRM4

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

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

Discover Target: HTR2A

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

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

Discover Target: HTR2C

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

KCNJ5 Tchem G protein-activated inward rectifier potassium channel 4 (1 Activities)

Discover Target: KCNJ5

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

Propriedades químicas e físicas

• Solubilidade: Soluble in water (slightly).
• Índice de refração: n20D1.60 (Predicted)
• Ponto de ebulição (°C): ~399.6° C at 760 mmHg (Predicted)
• Ponto de fusão (°C): 93° C
• Peso molecular: 277.400 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 277.183 Da
• Monoisotopic Mass: 277.183 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 339.000
• 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: 1