GRADE & PURITY Moligand™, ≥98%

Synonyms

SMR001233212 | 1,10-Decanediol, 98% | CYCLIZINE HYDROCHLORIDE [EP IMPURITY] | cyclizine monohydrochloride | 1-benzhydryl-4-methylpiperazin-4-ium;chloride | CYCLIZINE HCl | Cyclizini hydrochloridum | Echnatol | EN300-18536064

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Cyclizine is a piperazine derivative with anti-emetic activity that is useful in the prevention and treatment of nausea and vomiting associated with motion sickness.

Specifications

Sinónimos

SMR001233212 | 1, 10-Decanediol, 98% | CYCLIZINE HYDROCHLORIDE [EP IMPURITY] | cyclizine monohydrochloride | 1-benzhydryl-4-methylpiperazin-4-ium;chloride | CYCLIZINE HCl | Cyclizini hydrochloridum | Echnatol | EN300-18536064

Especificaciones y pureza

Moligand™, ≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Grado

Moligand™

Pureza

≥98%

Propiedades del producto

• Datos Ki: Histamine H1 Receptor: Ki= 4.44 nM (human); SR-2A: Ki= 64 nM (human); mAChR M4: Ki= 119 nM (human); mAChR M3: Ki= 159 nM (human); Muscarinic acetylcholine receptor M1: Ki= 163 nM (human)

Nombres e identificadores

• Sonrisas canónicas: CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3.Cl
• IUPAC Name: 1-benzhydryl-4-methylpiperazine;hydrochloride
• InChIKey: UKPBEPCQTDRZSE-UHFFFAOYSA-N
• INCHI: 1S/C18H22N2.ClH/c1-19-12-14-20(15-13-19)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-11,18H,12-15H2,1H3;1H
• Isómeros SMILES: CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3.Cl
• RTECS: TL6560000
• Número ONU: 2811
• Grupo de embalaje: III
• Peso molecular: 302.84
• Beilstein: 3743457
• Reaxy-Rn: 3743457
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3743457&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: N-methylpiperazines Aralkylamines Trialkylamines Azacyclic compounds Organopnictogen compounds Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylmethane - Aralkylamine - N-alkylpiperazine - N-methylpiperazine - 1,4-diazinane - Piperazine - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Amine - Organic salt - Organic chloride salt - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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)

PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

Discover Target: PTH1R

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

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

Discover Target: GLP1R

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

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

Discover Target: EHMT2

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

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

Objetivos asociados (no humanos)

Plasmodium falciparum (966862 Activities)

Explore this target

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

TGR Thioredoxin glutathione reductase (28579 Activities)

Discover Target: TGR

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO, methanol, chloroform, alcohol, and water (slightly).
• Índice de refracción: n20D1.58 (Predicted)
• Punto de fusión (°C): 291-293° C
• Peso molecular: 302.800 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 302.155 Da
• Monoisotopic Mass: 302.155 Da
• Topological Polar Surface Area: 6.500 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 253.000
• 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