Eprobemide - ≥99% , CAS No.87940-60-1

CAS: 87940-60-1 Cat. No.: E412779 Molecular Weight: 282.77

GRADE & PURITY ≥99%

Synonyms

YYFGRAGNYHYWEZ-UHFFFAOYSA-N | BS-17747 | Eprobemida [INN-Spanish] | Eprobemide [INN] | Tox21_112151 | AKOS002663030 | Eprobemidum [INN-Latin] | CCG-213898 | BCP30208 | UNII-URX5F7RDER | 4-chloro-N-[3-(morpholin-4-yl)propyl]benzamide | HY-B1413 | befole |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

Eprobemide is a reversiblemonoamine oxidase A (MAO-A)inhibitor. Eprobemide acts as an antidepressant in Russia.

Targets

MAO-A

Specifications

Synonyms

YYFGRAGNYHYWEZ-UHFFFAOYSA-N | BS-17747 | Eprobemida [INN-Spanish] | Eprobemide [INN] | Tox21_112151 | AKOS002663030 | Eprobemidum [INN-Latin] | CCG-213898 | BCP30208 | UNII-URX5F7RDER | 4-chloro-N-[3-(morpholin-4-yl)propyl]benzamide | HY-B1413 | befole |

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Eprobemide is a reversible monoamine oxidase A (MAO-A) inhibitor. Eprobemide acts as an antidepressant in Russia.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Product Properties

• ALogP: 1.591
• hba_count: 2
• HBD Count: 1
• Rotatable Bond: 5

Names and Identifiers

• Pubchem Sid: 504753996
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753996
• Canonical Smiles: C1COCCN1CCCNC(=O)C2=CC=C(C=C2)Cl
• IUPAC Name: 4-chloro-N-(3-morpholin-4-ylpropyl)benzamide
• InChIKey: YYFGRAGNYHYWEZ-UHFFFAOYSA-N
• INCHI: 1S/C14H19ClN2O2/c15-13-4-2-12(3-5-13)14(18)16-6-1-7-17-8-10-19-11-9-17/h2-5H,1,6-11H2,(H,16,18)
• Isomeric SMILES: C1COCCN1CCCNC(=O)C2=CC=C(C=C2)Cl
• Molecular Weight: 282.77
• Reaxy-Rn: 4257328
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4257328&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Halobenzoic acids and derivatives
          • Level6 4-halobenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Halobenzoic acids and derivatives
• Direct Parent: 4-halobenzoic acids and derivatives
• Alternative Parents: Benzamides Benzoyl derivatives Chlorobenzenes Morpholines Aryl chlorides Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 4-halobenzoic acid or derivatives - Benzamide - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Morpholine - Oxazinane - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxide - Organic oxygen compound - Organooxygen compound - Organopnictogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
• 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

Associated Targets(Human)

SH-SY5Y (11521 Activities)

Explore this target

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

Associated Targets(non-human)

Sigmar1 Sigma opioid receptor (160 Activities)

Discover Target: Sigmar1

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

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Tmem97 Sigma intracellular receptor 2 (922 Activities)

Discover Target: Tmem97

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro DMSO: 57 mg/mL (201.57 mM); Ethanol: 57 mg/mL (201.57 mM); Water: Insoluble
• DMSO(mg / mL) Max Solubility: 57
• DMSO(mM) Max Solubility: 201.577253598331
• Water(mg / mL) Max Solubility: ＜1
• Molecular Weight: 282.760 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 282.114 Da
• Monoisotopic Mass: 282.114 Da
• Topological Polar Surface Area: 41.600 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 275.000
• 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