Eprobemide - 10mM in DMSO , CAS No.87940-60-1

CAS: 87940-60-1 Cat. No.: E426646 Summenformel: C₁₄H₁₉ClN₂O₂ Molekulargewicht: 282.77

QUALITÄT & REINHEIT 10mM in DMSO

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 -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

Information

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

Targets

MAO-A

Spezifikationen

Synonyme

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 |

Spezifikationen & Reinheit

10mM in DMSO

Biochemische und physiologische Mechanismen

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

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Produkteigenschaften

ALogP

1.591

hba_count

2

HBD-Zahl

1

Rotationsfähige Bindung

5

Namen und Kennungen

Pubchem Sid

528769306

Kanonisches Lächeln

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)

Isomere SMILES

C1COCCN1CCCNC(=O)C2=CC=C(C=C2)Cl

Molekulargewicht

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
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Ebene5 Halobenzoic acids and derivatives
          • Ebene6 4-halobenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (menschlich)

SH-SY5Y (11521 Activities)

Explore this target

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Zugehörige Ziele (nicht menschlich)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• DMSO (mg/ml) Maximale Löslichkeit: 57
• DMSO (mM) Maximale Löslichkeit: 201.577253598331
• Wasser (mg/ml) Maximale Löslichkeit: ＜1
• Molekulargewicht: 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