PF9601N - ≥98% , CAS No.133845-63-3

CAS: 133845-63-3 Cat. No.: P412923 分子式: C₁₉H₁₈N₂O 分子量: 290.36 EC番号: 802-858-9 PubChem CID: 9947954

GRADE & PURITY ≥98%

Synonyms

AC-36581 | EX-A4722 | (5-Benzyloxy-1H-indol-2-ylmethyl)-prop-2-ynyl-amine | N-((5-(benzyloxy)-1H-indol-2-yl)methyl)prop-2-yn-1-amine | N-[(5-phenylmethoxy-1H-indol-2-yl)methyl]prop-2-yn-1-amine | AKOS037643452 | HY-120419 | F90321 | PF9601N | PF-9601N | A

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Information

PF9601N is a potent and selective inhibitor of monoamine oxidase B that exhibits anti-Parkinsonian effects in several models of PD.

Specifications

同義語

AC-36581 | EX-A4722 | (5-Benzyloxy-1H-indol-2-ylmethyl)-prop-2-ynyl-amine | N-((5-(benzyloxy)-1H-indol-2-yl)methyl)prop-2-yn-1-amine | N-[(5-phenylmethoxy-1H-indol-2-yl)methyl]prop-2-yn-1-amine | AKOS037643452 | HY-120419 | F90321 | PF9601N | PF-9601N | A

仕様と純度

≥98%

生化学的・生理学的メカニズム

PF9601N is a potent and selective inhibitor of monoamine oxidase B that exhibits anti-Parkinsonian effects in several models of PD.

保管条件

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。

アクションタイプ

INHIBITOR

純度

≥98%

名前と識別子

• パブケム・シド: 528766626
• カノニカル・スマイル: C#CCNCC1=CC2=C(N1)C=CC(=C2)OCC3=CC=CC=C3
• IUPAC Name: N-[(5-phenylmethoxy-1H-indol-2-yl)methyl]prop-2-yn-1-amine
• InChIKey: YFPNAYXYKXAKJC-UHFFFAOYSA-N
• INCHI: 1S/C19H18N2O/c1-2-10-20-13-17-11-16-12-18(8-9-19(16)21-17)22-14-15-6-4-3-5-7-15/h1,3-9,11-12,20-21H,10,13-14H2
• 異性体SMILES: C#CCNCC1=CC2=C(N1)C=CC(=C2)OCC3=CC=CC=C3
• WGKドイツ: 3
• PubChem CID: 9947954
• 分子量: 290.36

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles
• Alternative Parents: Aralkylamines Alkyl aryl ethers Substituted pyrroles Benzene and substituted derivatives Heteroaromatic compounds Dialkylamines Azacyclic compounds Acetylides Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Secondary aliphatic amine - Ether - Acetylide - Secondary amine - Azacycle - Organonitrogen compound - Organopnictogen compound - Amine - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
• 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）

MAOB Tclin Amine oxidase [flavin-containing] B (2 Activities)

Discover Target: MAOB

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

MAOA Tclin Amine oxidase [flavin-containing] A (2 Activities)

Discover Target: MAOA

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

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

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

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

MAOB Tclin Monoamine oxidase B (8835 Activities)

Discover Target: MAOB

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

BCHE Tclin Butyrylcholinesterase (7174 Activities)

Discover Target: BCHE

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: 290.400 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 290.142 Da
• Monoisotopic Mass: 290.142 Da
• Topological Polar Surface Area: 37.100 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 382.000
• 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