Dotarizine - ≥98% , CAS No.84625-59-2

CAS: 84625-59-2 Cat. No.: D336031 分子式: C₂₉H₃₄N₂O₂ 分子量: 442.59

GRADE & PURITY ≥98%

Synonyms

FI-6026 | Piperazine, 1-(diphenylmethyl)-4-(3-(2-phenyl-1,3-dioxolan-2-yl)propyl)- | Dotarizina [Spanish] | 1-(Diphenylmethyl)-4-(3-(2-phenyl-1,3-dioxolan-2-yl)propyl)piperazine | MLS006010920 | Dotarizinum [Latin] | 1-benzhydryl-4-[3-(2-phenyl-1,3-dioxol

Storage

Room temperature

Shipped In

Normal

概要

Dotarizine is a broad spectrum Ca|2+|antagonist and calcium channel protein inhibitor which blocks calcium uptake, [Ca|2+|]i rise and secretion via blockade of calcium channels. In addition, dotarizine selectively binds to vascular 5-HT receptors, blocking Ca|2+|activated Cl|-|channels. Dotarizine is a piperazine derivative structurally related to flunarizine, which accounts for the similar function of the two compounds. Furthermore, flunarizine is a less selective antagonist than dotarizine towards SR (5-HT receptors). Alternate studies indicate that dotarizine can inhibit cell death in bovine adrenal medullary chromaffin cells by decreasing cytosolic Ba|2+|concentration via Ca|2+|channel blockade.

Specifications

同義語

FI-6026 | Piperazine, 1-(diphenylmethyl)-4-(3-(2-phenyl-1,3-dioxolan-2-yl)propyl)- | Dotarizina [Spanish] | 1-(Diphenylmethyl)-4-(3-(2-phenyl-1,3-dioxolan-2-yl)propyl)piperazine | MLS006010920 | Dotarizinum [Latin] | 1-benzhydryl-4-[3-(2-phenyl-1,3-dioxol

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

製品の性質

• pKa: pKa: 7.59 (Predicted)

名前と識別子

• カノニカル・スマイル: C1CN(CCN1CCCC2(OCCO2)C3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5
• IUPAC Name: 1-benzhydryl-4-[3-(2-phenyl-1,3-dioxolan-2-yl)propyl]piperazine
• InChIKey: LRMJAFKKJLRDLE-UHFFFAOYSA-N
• INCHI: 1S/C29H34N2O2/c1-4-11-25(12-5-1)28(26-13-6-2-7-14-26)31-21-19-30(20-22-31)18-10-17-29(32-23-24-33-29)27-15-8-3-9-16-27/h1-9,11-16,28H,10,17-24H2
• 異性体SMILES: C1CN(CCN1CCCC2(OCCO2)C3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5
• 分子量: 442.59
• Reaxy-Rn: 6879159
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6879159&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Phenylbutylamines N-alkylpiperazines Ketals Aralkylamines 1,3-dioxolanes Trialkylamines Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylmethane - Phenylbutylamine - Ketal - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - Piperazine - Meta-dioxolane - Tertiary amine - Tertiary aliphatic amine - Acetal - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound
• 説明: 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: Not available

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

関連ターゲット（非人間）

SARS-CoV-2 (38078 Activities)

Explore this target

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in 100%ethanol (25 mg/ml), and methanol.
• 屈折率: n20D1.59 (Predicted)
• 沸点（°C）: 557.41° C at 760 mmHg (Predicted)
• 融点（°C）: 230.61° C (Predicted)
• 分子量: 442.600 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 442.262 Da
• Monoisotopic Mass: 442.262 Da
• Topological Polar Surface Area: 24.900 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 534.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 84625-59-2, the molecular formula is C29H34N2O2, and the molecular weight is 442.59 g/mol. InChIKey LRMJAFKKJLRDLE-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.