E55888 - Moligand™ , Agonist of 5-HT 7 receptor, CAS No.E610043, Agonist of 5-HT 7 receptor

CAS: E610043 Cat. No.: E610043 PubChem CID: 24825775

グレード＆純度 Moligand™

Synonyms

E55888 | E-55888 | N,N-dimethyl-2-(3-(1,3,5-trimethyl-1H-pyrazol-4-yl)phenyl)ethanamine | N,N-Dimethyl[2-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)phenyl]ethyl]amine | N,?N-?dimethyl-?3-?(1,?3,?5-?trimethyl-?1H-?pyrazol-?4-?yl)?phenethylamine | DTXSID901029789

Storage

Room temperature

仕様

同義語

E55888 | E-55888 | N,N-dimethyl-2-(3-(1,3,5-trimethyl-1H-pyrazol-4-yl)phenyl)ethanamine | N,N-Dimethyl[2-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)phenyl]ethyl]amine | N,?N-?dimethyl-?3-?(1,?3,?5-?trimethyl-?1H-?pyrazol-?4-?yl)?phenethylamine | DTXSID901029789

仕様と純度

Moligand™

保管条件

Room temperature

等級

Moligand™

アクションタイプ

AGONIST

作用メカニズム

Agonist of 5-HT 7 receptor

名前と識別子

カノニカル・スマイル

CN(CCc1cccc(c1)c1c(C)nn(c1C)C)C

IUPAC Name

N,N-dimethyl-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)phenethylamine

InChIKey

MFUWRMRKXKCSPL-UHFFFAOYSA-N

INCHI

1S/C16H23N3/c1-12-16(13(2)19(5)17-12)15-8-6-7-14(11-15)9-10-18(3)4/h6-8,11H,9-10H2,1-5H3

異性体SMILES

CC1=C(C(=NN1C)C)C2=CC=CC(=C2)CCN(C)C

PubChem CID

24825775

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrazoles
• Alternative Parents: Phenethylamines Aralkylamines Heteroaromatic compounds Trialkylamines Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpyrazole - Phenethylamine - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
• 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）

HTR7 Tclin 5-hydroxytryptamine receptor 7 (4 Activities)

Discover Target: HTR7

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

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

HTR5A Tchem Serotonin 5a (5-HT5a) receptor (1433 Activities)

Discover Target: HTR5A

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

関連ターゲット（非人間）

Htr7 Serotonin 7 (5-HT7) receptor (19 Activities)

Discover Target: Htr7

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

• 分子量: 257.370 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 257.189 Da
• Monoisotopic Mass: 257.189 Da
• Topological Polar Surface Area: 21.100 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 279.000
• 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 Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

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

The CAS Number is E610043. InChIKey MFUWRMRKXKCSPL-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.