GRADE & PURITY 10mM in DMSO

Synonyms

Cyclobenzaprine hydrochloride|6202-23-9|Cyclobenzaprine HCL|Flexeril|Flexiban|Amrix|Cycloflex|Tensodox|Cloben|Cyben|Novo-Cycloprine|3-(5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-amine hydrochloride|MK 130 hydrochloride|Cyclobenzaprine (hydr

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Cyclobenzaprine HCl is a skeletal muscle relaxant and a central nervous system (CNS) depressant.
A serotonin receptor inhibitor

Specifications

Sinónimos

Cyclobenzaprine hydrochloride | 6202-23-9 | Cyclobenzaprine HCL | Flexeril | Flexiban | Amrix | Cycloflex | Tensodox | Cloben | Cyben | Novo-Cycloprine | 3-(5H-dibenzo[a, d][7]annulen-5-ylidene)-N, N-dimethylpropan-1-amine hydrochloride | MK 130 hydrochloride | Cyclobenzaprine (hydr

Especificaciones y pureza

10mM in DMSO

Mecanismos bioquímicos y fisiológicos

Cyclobenzaprine Hydrochloride is an inhibitor of the serotonin receptor (SR).

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

ANTAGONIST

Mecanismo de acción

Serotonin 2c (5-HT2c) receptor antagonist

Nombres e identificadores

• Sonrisas canónicas: CN(C)CCC=C1C2=CC=CC=C2C=CC3=CC=CC=C31.Cl
• IUPAC Name: N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propan-1-amine;hydrochloride
• InChIKey: VXEAYBOGHINOKW-UHFFFAOYSA-N
• INCHI: 1S/C20H21N.ClH/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20;/h3-6,8-14H,7,15H2,1-2H3;1H
• Isómeros SMILES: CN(C)CCC=C1C2=CC=CC=C2C=CC3=CC=CC=C31.Cl
• WGK Alemania: 3
• RTECS: HP0875000
• Peso molecular: 311.85
• Reaxy-Rn: 6247987
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6247987&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Dibenzocycloheptenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Dibenzocycloheptenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Dibenzocycloheptenes
• Alternative Parents: Trialkylamines Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Dibenzocycloheptene - Tertiary aliphatic amine - Tertiary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Amine - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dibenzocycloheptenes. These are compounds containing a dibenzocycloheptene moiety, which consists of two benzene rings connected by a cycloheptene ring.
• 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

Objetivos asociados (humanos)

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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TRPV1 Tclin Vanilloid receptor (8273 Activities)

Discover Target: TRPV1

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

Discover Target: GLP1R

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A498 (42825 Activities)

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ACHN (49357 Activities)

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CAKI-1 (44928 Activities)

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COLO 205 (50209 Activities)

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DU-145 (51482 Activities)

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HT-29 (80576 Activities)

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K562 (73714 Activities)

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KM12 (47707 Activities)

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M14 (47487 Activities)

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MCF7 (126967 Activities)

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MOLT-4 (49676 Activities)

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OVCAR-3 (48710 Activities)

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OVCAR-4 (44535 Activities)

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OVCAR-5 (45555 Activities)

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OVCAR-8 (47708 Activities)

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PC-3 (62116 Activities)

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RPMI-8226 (44974 Activities)

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RXF 393 (41971 Activities)

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SF-295 (48000 Activities)

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SK-MEL-2 (46422 Activities)

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SK-MEL-28 (48833 Activities)

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SK-MEL-5 (47095 Activities)

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SK-OV-3 (52876 Activities)

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SN12C (47755 Activities)

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SNB-19 (46794 Activities)

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TK-10 (45540 Activities)

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U-251 (51189 Activities)

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UACC-257 (46019 Activities)

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UACC-62 (47335 Activities)

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UO-31 (46270 Activities)

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786-0 (47912 Activities)

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A549 (127892 Activities)

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NCI/ADR-RES (33767 Activities)

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T47D (39041 Activities)

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EKVX (44102 Activities)

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NCI-H322M (45589 Activities)

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HCC 2998 (41480 Activities)

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HCT-116 (91556 Activities)

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HEK293 (82097 Activities)

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HOP-92 (41141 Activities)

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Hs-578T (29457 Activities)

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NCI-H460 (60772 Activities)

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SF-268 (49410 Activities)

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IGROV-1 (47897 Activities)

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LOX IMVI (44321 Activities)

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HOP-62 (47048 Activities)

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MDA-MB-435 (38290 Activities)

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Objetivos asociados (no humanos)

Plasmodium falciparum (966862 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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TGR Thioredoxin glutathione reductase (28579 Activities)

Discover Target: TGR

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Impa1 Inositol monophosphatase 1 (16203 Activities)

Discover Target: Impa1

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nfo Endonuclease 4 (425 Activities)

Discover Target: nfo

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Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 217 °C
• Peso molecular: 311.800 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 311.144 Da
• Monoisotopic Mass: 311.144 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 365.000
• 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