dihydroergocryptine - Moligand™ , Agonist of 5-HT 2B receptor;Antagonist of 5-HT 7 receptor, CAS No.D609889, Agonist of 5-HT 2B receptor;Antagonist of 5-HT 7 receptor

CAS: D609889 Cat. No.: D609889 PubChem CID: 522609

GRADE & PURITY Moligand™

Synonyms

12'-Hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxo-9,10-dihydroergotaman | Dihydroergocryptine | 12'-Hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxo-9,10-dihydroergotaman # | L001212 | PBUNVLRHZGSROC-UHFFFAOYSA-N | DTXSID40860342 | STK665862 | NCGC0018

Storage

Room temperature

Specifications

同義語

12'-Hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxo-9,10-dihydroergotaman | Dihydroergocryptine | 12'-Hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxo-9,10-dihydroergotaman # | L001212 | PBUNVLRHZGSROC-UHFFFAOYSA-N | DTXSID40860342 | STK665862 | NCGC0018

仕様と純度

Moligand™

保管条件

Room temperature

等級

Moligand™

アクションタイプ

AGONIST, ANTAGONIST

作用メカニズム

Agonist of 5-HT 2B receptor;Antagonist of 5-HT 7 receptor

名前と識別子

• カノニカル・スマイル: CC(CC1C(=O)N2CCCC2C2(N1C(=O)C(O2)(NC(=O)C1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C
• IUPAC Name: N-[2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.0^{2,6}]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraene-4-carboxamide
• InChIKey: PBUNVLRHZGSROC-UHFFFAOYSA-N
• INCHI: 1S/C32H43N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,15,17-18,20,22,24-26,33,41H,7,10-14,16H2,1-5H3,(H,34,38)
• 異性体SMILES: CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CC5C(CC6=CNC7=CC=CC5=C67)N(C4)C)O
• PubChem CID: 522609

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • 分類 Ergoline and derivatives
      • Subclass Lysergic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• 分類: Ergoline and derivatives
• Subclass: Lysergic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Ergopeptines
• Alternative Parents: Hybrid peptides Dipeptides Lysergamides Indoloquinolines Benzoquinolines Quinoline-3-carboxamides Pyrroloquinolines N-acyl-alpha amino acids and derivatives 3-alkylindoles Piperidinecarboxamides Isoindoles and derivatives Aralkylamines N-alkylpiperazines Oxazolidinones Benzenoids Pyrroles Pyrrolidines Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Trialkylamines Orthocarboxylic acid derivatives Lactams Azacyclic compounds Oxacyclic compounds Alkanolamines Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Ergopeptine - Hybrid peptide - Alpha-dipeptide - Lysergic acid amide - Indoloquinoline - Benzoquinoline - Quinoline-3-carboxamide - N-acyl-alpha amino acid or derivatives - Pyrroloquinoline - Alpha-amino acid or derivatives - Quinoline - 3-alkylindole - Indole - Indole or derivatives - Isoindole or derivatives - 3-piperidinecarboxamide - Piperidinecarboxamide - N-alkylpiperazine - Aralkylamine - Benzenoid - Piperidine - 1,4-diazinane - Piperazine - Oxazolidinone - Tertiary carboxylic acid amide - Pyrrolidine - Pyrrole - Heteroaromatic compound - Oxazolidine - Tertiary amine - Secondary carboxylic acid amide - Tertiary aliphatic amine - Carboxamide group - Lactam - Amino acid or derivatives - Orthocarboxylic acid derivative - Alkanolamine - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Oxacycle - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as ergopeptines. These are ergoline derivatives that contain a tripeptide structure attached to the basic ergoline ring in the same location as the amide group of the lysergic acid derivatives.
• 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 (2 Activities)

Discover Target: HTR7

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

HTR2B Tclin 5-hydroxytryptamine receptor 2B (1 Activities)

Discover Target: HTR2B

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

作用メカニズム

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 D609889. InChIKey PBUNVLRHZGSROC-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.