U101958 - Moligand™ , Antagonist of D 4 receptor, CAS No.179556-82-2, Antagonist of D 4 receptor

CAS: 179556-82-2 Cat. No.: U614605 PubChem CID: 5615

GRADE & PURITY Moligand™

Synonyms

3-Isopropoxy-N-methyl-N-(1-(phenylmethyl)-4-piperidinyl)-2-pyridinylamine | PNU 101958 | NCGC00016072-03 | NCGC00016072-05 | Q27089043 | U 101958 | CCG-205349 | DTXSID40168956 | NCGC00016072-01 | Lopac0_001276 | BDBM50071208 | N-methyl-N-[1-(phenylmethyl)

Storage

Room temperature

Specifications

동의어

3-Isopropoxy-N-methyl-N-(1-(phenylmethyl)-4-piperidinyl)-2-pyridinylamine | PNU 101958 | NCGC00016072-03 | NCGC00016072-05 | Q27089043 | U 101958 | CCG-205349 | DTXSID40168956 | NCGC00016072-01 | Lopac0_001276 | BDBM50071208 | N-methyl-N-[1-(phenylmethyl)

사양 및 순도

Moligand™

보관 조건

Room temperature

등급

Moligand™

작업 유형

ANTAGONIST

작동 메커니즘

Antagonist of D 4 receptor

이름과 식별자

• 정식 스마일: CC(Oc1cccnc1N(C1CCN(CC1)Cc1ccccc1)C)C
• IUPAC Name: N-methyl-N-[1-(phenylmethyl)piperidin-4-yl]-3-propan-2-yloxypyridin-2-amine
• InChIKey: WFLHEXUTTRRXFJ-UHFFFAOYSA-N
• INCHI: 1S/C21H29N3O/c1-17(2)25-20-10-7-13-22-21(20)23(3)19-11-14-24(15-12-19)16-18-8-5-4-6-9-18/h4-10,13,17,19H,11-12,14-16H2,1-3H3
• 이성체 SMILES: CC(C)OC1=C(N=CC=C1)N(C)C2CCN(CC2)CC3=CC=CC=C3
• PubChem CID: 5615

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Piperidines
      • Subclass Benzylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Piperidines
• Subclass: Benzylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-benzylpiperidines
• Alternative Parents: Phenylmethylamines Dialkylarylamines Benzylamines Aralkylamines Aminopyridines and derivatives Alkyl aryl ethers Imidolactams Heteroaromatic compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-benzylpiperidine - Benzylamine - Dialkylarylamine - Phenylmethylamine - Alkyl aryl ether - Aminopyridine - Aralkylamine - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyridine - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Ether - Azacycle - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
• 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 (1 Activities)

Discover Target: DRD4

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

화학 및 물리적 특성

• 분자량: 339.500 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 339.231 Da
• Monoisotopic Mass: 339.231 Da
• Topological Polar Surface Area: 28.600 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 375.000
• 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 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 179556-82-2. InChIKey WFLHEXUTTRRXFJ-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.