clorgiline - Moligand™, ≥98% , Inhibitor of Monoamine oxidase A, CAS No.17780-72-2, Inhibitor of Monoamine oxidase A

CAS: 17780-72-2 Cat. No.: C608603 Formule: C₁₃H₁₅Cl₂NO Poids moléculaire: 272.17 PubChem CID: 4380

GRADE & PURITY Moligand™, ≥98%

Synonyms

N-[(2,6-DICHLORO-4-METHYL-3-PYRIDYL)CARBONYL]-N-(3,4-DICHLOROPHENYL)UREA | NCGC00162235-01 | N-(3-(2,4-Dichlorophenoxy)propyl)-N-methyl-2-propynylamine | [3-(2,4-Dichloro-phenoxy)-propyl]-methyl-prop-2-ynyl-amine | CAS-17780-75-5 | Clorgiline [INN:BAN] |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Clorgyline is an antidepressive agent and monoamine oxidase inhibitor related to PARGYLINE.

Specifications

Synonymes

N-[(2,6-DICHLORO-4-METHYL-3-PYRIDYL)CARBONYL]-N-(3,4-DICHLOROPHENYL)UREA | NCGC00162235-01 | N-(3-(2,4-Dichlorophenoxy)propyl)-N-methyl-2-propynylamine | [3-(2,4-Dichloro-phenoxy)-propyl]-methyl-prop-2-ynyl-amine | CAS-17780-75-5 | Clorgiline [INN:BAN] |

Spécifications et pureté

Moligand™, ≥98%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

INHIBITOR

Mécanisme d'action

Inhibitor of Monoamine oxidase A

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 528772705
• Sourires canoniques: CN(CCCOC1=C(C=C(C=C1)Cl)Cl)CC#C
• IUPAC Name: 3-(2,4-dichlorophenoxy)-N-methyl-N-prop-2-ynylpropan-1-amine
• InChIKey: BTFHLQRNAMSNLC-UHFFFAOYSA-N
• INCHI: 1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3
• Isomères SMILES: CN(CCCOC1=C(C=C(C=C1)Cl)Cl)CC#C
• CAS alternatif: 17780-72-2
• PubChem CID: 4380
• Termes d'entrée MeSH: Chlorgyline;Clorgilin;Clorgiline;Clorgyline
• Poids moléculaire: 272.17

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Phenoxy compounds Phenol ethers Alkyl aryl ethers Aryl chlorides Trialkylamines Acetylides Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - 1,3-dichlorobenzene - Phenol ether - Alkyl aryl ether - Aryl chloride - Aryl halide - Tertiary aliphatic amine - Tertiary amine - Acetylide - Ether - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• External Descriptors: a small molecule

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

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Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 272.170 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 271.053 Da
• Monoisotopic Mass: 271.053 Da
• Topological Polar Surface Area: 12.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 263.000
• 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

Références

1. Ting Cao, Mengjin Li, Hong Ma, Zhefeng Fan.  (2026)  Visualization of mitochondrial monoamine oxidase dynamics in live cells and DILI via a ratiometric NIR probe with “ICT+ESIPT” mechanism.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:41759435] [10.1016/j.saa.2026.127639]