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

CAS: 76135-31-4 Cat. No.: H274624 분자식: C₁₆H₂₆BrNO 분자량: 328.29 EC 번호: 102-979-0

등급 & 순도 ≥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

개요

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

사양

동의어

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

사양 및 순도

≥95%

생화학 및 생리적 메커니즘

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 .

보관 조건

Store at 2-8°C,Desiccated

배송

Wet ice

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

작업 유형

AGONIST

참고

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.

순수함

≥95%

이름과 식별자

Pubchem Sid

508810270

정식 스마일

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

이성체 SMILES

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

분자량

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
    • 분류 Tetralins

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

관련 대상(인간)

HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)

Discover Target: HTR1A

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

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

Discover Target: HTR2A

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

OPRM1 Tclin Mu opioid receptor (19785 Activities)

Discover Target: OPRM1

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

BLM Tchem Bloom syndrome protein (4248 Activities)

Discover Target: BLM

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

GLS Tchem Glutaminase kidney isoform, mitochondrial (16997 Activities)

Discover Target: GLS

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

관련 대상(비인간)

Mus musculus (284745 Activities)

Explore this target

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

Rattus norvegicus (775804 Activities)

Explore this target

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

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

Discover Target: Htr3a

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in water to 10 mM and in ethanol to 5 mM
• 감도: Moisture sensitive
• 분자량: 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