TB5 - 10mM in DMSO , CAS No.948841-07-4

CAS: 948841-07-4 Cat. No.: T427055 Summenformel: C₁₅H₁₄BrNOS Molekulargewicht: 336.25 PubChem CID: 101571768

QUALITÄT & REINHEIT 10mM in DMSO

Synonyms

2-​Propen-​1-​one,1-​(5-​bromo-​2-​thienyl)​-​3-​[4-​(dimethylamino)​phenyl]​-​,(2E)​-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

Information

TB5 is a potent and selectiveMAO-Binhibitor with Ki values of 110 and 1,450 nM for MAO-B and MAO-A, respectively.

Targets

MAO-B 110 nM(Ki)

Spezifikationen

Synonyme

2-​Propen-​1-​one,1-​(5-​bromo-​2-​thienyl)​-​3-​[4-​(dimethylamino)​phenyl]​-​,(2E)​-

Spezifikationen & Reinheit

10mM in DMSO

Biochemische und physiologische Mechanismen

TB5 is a potent and selective MAO-B inhibitor with Ki values of 110 and 1,450 nM for MAO-B and MAO-A, respectively.

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

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

Namen und Kennungen

Pubchem Sid

528767355

Kanonisches Lächeln

CN(C)C1=CC=C(C=C1)C=CC(=O)C2=CC=C(S2)Br

IUPAC Name

(E)-1-(5-bromothiophen-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one

InChIKey

PTLDLBSWTKNYCY-VMPITWQZSA-N

INCHI

1S/C15H14BrNOS/c1-17(2)12-6-3-11(4-7-12)5-8-13(18)14-9-10-15(16)19-14/h3-10H,1-2H3/b8-5+

Isomere SMILES

CN(C)C1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(S2)Br

PubChem CID

101571768

Molekulargewicht

336.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse Cinnamic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Cinnamic acids and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinnamic acids and derivatives
• Alternative Parents: Styrenes Dialkylarylamines Aryl ketones Aniline and substituted anilines 2,5-disubstituted thiophenes Aryl bromides Heteroaromatic compounds Enones Acryloyl compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Cinnamic acid or derivatives - Styrene - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aryl ketone - 2,5-disubstituted thiophene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Enone - Heteroaromatic compound - Thiophene - Alpha,beta-unsaturated ketone - Ketone - Tertiary amine - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 336.200 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 334.998 Da
• Monoisotopic Mass: 334.998 Da
• Topological Polar Surface Area: 48.600 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 337.000
• 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