mofegiline - Moligand™ , Inhibitor of amine oxidase copper containing 3;Inhibitor of Monoamine oxidase B, CAS No.119386-96-8, Inhibitor of amine oxidase copper containing 3;Inhibitor of Monoamine oxidase B

CAS: 119386-96-8 Cat. No.: M611981

GRADE & PURITY Moligand™

Synonyms

(e)-2-(4-fluorophenethyl)-3-fluoroallylamine | Mofegiline [INN] | BDBM50246766 | MDL-72,974 | SCHEMBL1295041 | (2E)-2-(fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine | (E)-1-amino-2-(fluoromethylene)-4-(p-fluorophenyl)butane | 1FMJ6D8Y1B | Benzenebuta

Storage

Room temperature

Specifications

동의어

(e)-2-(4-fluorophenethyl)-3-fluoroallylamine | Mofegiline [INN] | BDBM50246766 | MDL-72,974 | SCHEMBL1295041 | (2E)-2-(fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine | (E)-1-amino-2-(fluoromethylene)-4-(p-fluorophenyl)butane | 1FMJ6D8Y1B | Benzenebuta

사양 및 순도

Moligand™

보관 조건

Room temperature

등급

Moligand™

작업 유형

INHIBITOR

작동 메커니즘

Inhibitor of amine oxidase copper containing 3;Inhibitor of Monoamine oxidase B

이름과 식별자

정식 스마일

C1=CC(=CC=C1CCC(=CF)CN)F

IUPAC Name

(2E)-2-(fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine

InChIKey

VXLBSYHAEKDUSU-JXMROGBWSA-N

INCHI

1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+

이성체 SMILES

C1=CC(=CC=C1CC/C(=C\F)/CN)F

대체 CAS

119386-96-8

MeSH 용어

4-fluoro-beta-(fluoromethylene)benzenebutanamine;MDL 72974;MDL-72,974;MDL-72974A;mofegiline

Reaxy-Rn

6137537

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6137537&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Phenylbutylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Phenylbutylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylbutylamines
• Alternative Parents: Fluorobenzenes Aryl fluorides Vinyl fluorides Fluoroalkenes Organofluorides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylbutylamine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Fluoroalkene - Haloalkene - Vinyl halide - Vinyl fluoride - Organofluoride - Organohalogen compound - Primary aliphatic amine - Amine - Organonitrogen compound - Organic nitrogen compound - Primary amine - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenylbutylamines. These are compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine.
• 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)

AOC3 Tchem Membrane primary amine oxidase (2 Activities)

Discover Target: AOC3

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

MAOB Tclin Amine oxidase [flavin-containing] B (4 Activities)

Discover Target: MAOB

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

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

AOC1 Tchem Diamine oxidase (68 Activities)

Discover Target: AOC1

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

AOC2 Tchem Retina-specific amine oxidase, copper containing (42 Activities)

Discover Target: AOC2

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

DAO Tchem D-amino-acid oxidase (802 Activities)

Discover Target: DAO

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

AOC3 Amine oxidase, copper containing (44 Activities)

Discover Target: AOC3

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

• 분자량: 197.220 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 197.102 Da
• Monoisotopic Mass: 197.102 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 184.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• 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 119386-96-8. InChIKey VXLBSYHAEKDUSU-JXMROGBWSA-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.