NMI 8739 - Moligand™,≥99% , CAS No.129024-87-9

CAS: 129024-87-9 Cat. No.: N651636 分子式: C₃₀H₄₁NO₃ 分子量: 463.65 PubChem CID: 6443994

GRADE & PURITY Moligand™, ≥99%

Synonyms

NCGC00161234-02 | n-docosahexaenoyl dopamine | MS-28532 | Nmi-8739 | SCHEMBL11888439 | (4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]docosa-4,7,10,13,16,19-hexaenamide | AKOS040733009 | HY-101540 | 4,7,10,13,16,19-Docosahexaenoic acid dopamine c

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

概要

NMI 8739 is a dopamine D2 autoreceptor agonist, which is an amine conjugate of the DHA carrier and the neurotransmitter dopamine.

Specifications

同義語

NCGC00161234-02 | n-docosahexaenoyl dopamine | MS-28532 | Nmi-8739 | SCHEMBL11888439 | (4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]docosa-4,7,10,13,16,19-hexaenamide | AKOS040733009 | HY-101540 | 4,7,10,13,16,19-Docosahexaenoic acid dopamine c

仕様と純度

Moligand™,≥99%

保管条件

Protected from light,Store at -20°C

入荷

Ice chest + Ice pads

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。

等級

Moligand™

アクションタイプ

AGONIST

純度

≥99%

名前と識別子

カノニカル・スマイル

CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)NCCC1=CC(=C(C=C1)O)O

IUPAC Name

(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]docosa-4,7,10,13,16,19-hexaenamide

InChIKey

HXJMZRVSTICUKC-KUBAVDMBSA-N

INCHI

1S/C30H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30(34)31-25-24-27-22-23-28(32)29(33)26-27/h3-4,6-7,9-10,12-13,15-16,18-19,22-23,26,32-33H,2,5,8,11,14,17,20-21,24-25H2,1H3,(H,31,34)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-

異性体SMILES

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCC1=CC(=C(C=C1)O)O

PubChem CID

6443994

分子量

463.65

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenols
      • Subclass Benzenediols
        • Level5 Catechols
          • Level6 Catecholamines and derivatives
            • Level7 N-acyldopamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenols
• Subclass: Benzenediols
• Intermediate Tree Nodes: Catechols - Catecholamines and derivatives
• Direct Parent: N-acyldopamines
• Alternative Parents: 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids N-acyl amines Benzene and substituted derivatives Secondary carboxylic acid amides Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-acyldopamine - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Fatty acyl - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as n-acyldopamines. These are aromatic heterocyclic compounds containing a dopamine, in which the amine group is acylated.
• 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）

CNR1 Tclin Cannabinoid CB1 receptor (20913 Activities)

Discover Target: CNR1

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

ALOX12 Tchem Arachidonate 12-lipoxygenase (3262 Activities)

Discover Target: ALOX12

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）

Rattus norvegicus (775804 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: Ethanol : 100 mg/mL (215.68 mM; Need ultrasonic) DMSO : ≥ 100 mg/mL (215.68 mM)
• 感度: Light sensitive
• 分子量: 463.700 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 17
• Exact Mass: 463.309 Da
• Monoisotopic Mass: 463.309 Da
• Topological Polar Surface Area: 69.600 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 687.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 6
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 6
• Covalently-Bonded Unit Count: 1

よくある質問

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 ?20 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 129024-87-9, the molecular formula is C30H41NO3, and the molecular weight is 463.65 g/mol. InChIKey HXJMZRVSTICUKC-KUBAVDMBSA-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.