A412997 - 몰리건드™, ≥98% , Agonist of D 4 receptor, CAS No.630116-49-3, Agonist of D 4 receptor

CAS: 630116-49-3 Cat. No.: A274865 분자식: C₁₉H₂₃N₃O 분자량: 309.41

GRADE & PURITY Moligand™, ≥98%

Synonyms

SCHEMBL4010266 | 2-(3'',4'',-5'',6''-테트라하이드로-2''H-[2,4''-비피리딘]-1''-yl)-N-(m-톨릴)아세타마이드 | DTXSID70212234 | Q4646874 | N-(3-메틸페닐)-4-(2-피리디닐)-1-피페리딘아세타마이드 | XDC74496 | UNII-RWL9H93ARB | GTPL3301 | 2-(4-(피리딘-2-일)피페라이드

Storage

20°C, 건조 보관

Shipped In

아이스 박스 + 아이스 패드

Specifications

동의어

SCHEMBL4010266 | 2-(3'',4'',-5'',6''-테트라하이드로-2''H-[2,4''-비피리딘]-1''-yl)-N-(m-톨릴)아세타마이드 | DTXSID70212234 | Q4646874 | N-(3-메틸페닐)-4-(2-피리디닐)-1-피페리딘아세타마이드 | XDC74496 | UNII-RWL9H93ARB | GTPL3301 | 2-(4-(피리딘-2-일)피페라이드

사양 및 순도

몰리건드™, ≥98%

생화학 및 생리적 메커니즘

쥐 D 4 및 인간 D 4.4 수용체에서 고도로 선택적인 도파민 D 4 수용체 작용제(K i 값은 각각 12.1 및 7.9 nM입니다). 쥐 도파민 D 4 수용체에서 강력하고 완전한 작용제(EC 50 = 28.4 nM).

보관 조건

20°C, 건조 보관

배송

아이스 박스 + 아이스 패드

등급

Moligand™

작업 유형

AGONIST

작동 메커니즘

Agonist of D 4 receptor

순수함

≥98%

이름과 식별자

• 정식 스마일: CC1=CC(=CC=C1)NC(=O)CN2CCC(CC2)C3=CC=CC=N3
• IUPAC Name: N-(3-methylphenyl)-2-(4-pyridin-2-ylpiperidin-1-yl)acetamide
• InChIKey: JFCDMGGMCUKHST-UHFFFAOYSA-N
• INCHI: 1S/C19H23N3O/c1-15-5-4-6-17(13-15)21-19(23)14-22-11-8-16(9-12-22)18-7-2-3-10-20-18/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,21,23)
• 이성체 SMILES: CC1=CC(=CC=C1)NC(=O)CN2CCC(CC2)C3=CC=CC=N3
• 대체 CAS: 1347744-96-0
• 분자량: 309.41
• Reaxy-Rn: 10688521
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10688521&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid amides
• Alternative Parents: Anilides N-arylamides Toluenes Aralkylamines Pyridines and derivatives Piperidines Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-amino acid amide - Anilide - N-arylamide - Toluene - Aralkylamine - Monocyclic benzene moiety - Piperidine - Pyridine - Benzenoid - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
• 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)

DRD4 Tchem D(4) dopamine receptor (8 Activities)

Discover Target: DRD4

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

DRD2 Tclin Dopamine D2 receptor (23596 Activities)

Discover Target: DRD2

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

DRD1 Tclin Dopamine D1 receptor (9720 Activities)

Discover Target: DRD1

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

DRD4 Tchem Dopamine D4 receptor (7907 Activities)

Discover Target: DRD4

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

DRD3 Tclin Dopamine D3 receptor (14368 Activities)

Discover Target: DRD3

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

DRD5 Tchem Dopamine D5 receptor (1597 Activities)

Discover Target: DRD5

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

T98G (1524 Activities)

Explore this target

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

U-251 (51189 Activities)

Explore this target

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

DRD3 Tclin Dopamine receptors; D3 & D4 (312 Activities)

Discover Target: DRD3

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

관련 대상(비인간)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in water to 100 mM
• 분자량: 309.400 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 309.184 Da
• Monoisotopic Mass: 309.184 Da
• Topological Polar Surface Area: 45.200 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 379.000
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥98% 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, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

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 630116-49-3, the molecular formula is C19H23N3O, and the molecular weight is 309.41 g/mol. InChIKey JFCDMGGMCUKHST-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.