8-Hydroxy-DPAT hydrobromide - ≥95% , CAS No.76135-31-4

CAS: 76135-31-4 Cat. No.: H274624 分子式: C₁₆H₂₆BrNO 分子量: 328.29 EC番号: 102-979-0

グレード＆純度 ≥95%

Synonyms

8-OH-DPAT hydrobromide; (+/-)-8-OH-DPAT-HBr | DTXSID80896822 | MLS000859968 | ( inverted question mark)-8-Hydroxy-DPAT hydrobromide | 8-Hydroxy-2-dipropylaminotetralin HBr | Bromoethyl benzyl ether | (?)-8-Hydroxy-DPAT hydrobromide | (+/-)-2-Dipropylamino

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

概要

Store at +4°C. Store under desiccating conditions. The product can be stored for up to 12 months.

仕様

同義語

8-OH-DPAT hydrobromide; (+/-)-8-OH-DPAT-HBr | DTXSID80896822 | MLS000859968 | ( inverted question mark)-8-Hydroxy-DPAT hydrobromide | 8-Hydroxy-2-dipropylaminotetralin HBr | Bromoethyl benzyl ether | (?)-8-Hydroxy-DPAT hydrobromide | (+/-)-2-Dipropylamino

仕様と純度

≥95%

生化学的・生理学的メカニズム

Standard selective 5-HT 1a receptor agonist. Moderate affinity for 5-HT 7 receptors (pK i = 6.6) and able to antagonise 5-HT reuptake. Variety of biological effects seen in vivo .

保管条件

Store at 2-8°C,Desiccated

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

AGONIST

注

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.

純度

≥95%

名前と識別子

パブケム・シド

508810270

カノニカル・スマイル

CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O.Br

IUPAC Name

7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide

InChIKey

BATPBOZTBNNDLN-UHFFFAOYSA-N

INCHI

1S/C16H25NO.BrH/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14;/h5-7,14,18H,3-4,8-12H2,1-2H3;1H

異性体SMILES

CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O.Br

分子量

328.29

Reaxy-Rn

4301578

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4301578&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Tetralins

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Tetralins
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetralins
• Alternative Parents: Aralkylamines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Trialkylamines Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives Hydrobromides
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Tetralin - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Tertiary aliphatic amine - Tertiary amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrobromide - Organooxygen compound - Organonitrogen compound - Amine - Aromatic homopolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
• 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（人間）

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Discover Target: HTR1A

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HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)

Discover Target: HTR2A

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OPRM1 Tclin Mu opioid receptor (19785 Activities)

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

Discover Target: EHMT2

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BLM Tchem Bloom syndrome protein (4248 Activities)

Discover Target: BLM

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GLS Tchem Glutaminase kidney isoform, mitochondrial (16997 Activities)

Discover Target: GLS

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関連ターゲット（非人間）

Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Htr3a Serotonin (5-HT) receptor (353 Activities)

Discover Target: Htr3a

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in water to 10 mM and in ethanol to 5 mM
• 感度: Moisture sensitive
• 分子量: 328.290 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 327.12 Da
• Monoisotopic Mass: 327.12 Da
• Topological Polar Surface Area: 23.500 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 237.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3