DPPE fumarate - ≥98% , CAS No.1185241-83-1

CAS: 1185241-83-1 Cat. No.: D286652 Formula: C₂₃H₂₉NO₅ Peso molecolare: 399.5 PubChem CID: 45073473

GRADE & PURITY ≥98%

Synonyms

N,N-dietil-2-[4-(fenilmetil)fenossi]etanamina fumarato | 2-(4-benzilfenossi)-N,N-dietiletanamina fumarato

Storage

Store at -20°C,Desiccated

Shipped In

Cassetta del ghiaccio + cuscini per il ghiaccio

Specifications

Sinonimi

N,N-dietil-2-[4-(fenilmetil)fenossi]etanamina fumarato | 2-(4-benzilfenossi)-N,N-dietiletanamina fumarato

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

Si lega con elevata affinità al sito di legame degli antiestrogeni ma non al recettore degli estrogeni. Induce l'accumulo di steroli nelle cellule MCF7. Inibitore del legame dell'istamina al sito intracellulare dell'istamina (Hlc).

Condizioni di conservazione di stoccaggio

Store at -20°C,Desiccated

Spedito in

Cassetta del ghiaccio + cuscini per il ghiaccio

Tipo di azione

ANTAGONIST

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504770538

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504770538

Sorrisi canonici

CCN(CC)CCOC1=CC=C(C=C1)CC2=CC=CC=C2.C(=CC(=O)O)C(=O)O

IUPAC Name

2-(4-benzylphenoxy)-N,N-diethylethanamine;(E)-but-2-enedioic acid

InChIKey

ZOOMDYHTGZSGDD-WLHGVMLRSA-N

INCHI

1S/C19H25NO.C4H4O4/c1-3-20(4-2)14-15-21-19-12-10-18(11-13-19)16-17-8-6-5-7-9-17;5-3(6)1-2-4(7)8/h5-13H,3-4,14-16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

Isomeri SMILES

CCN(CC)CCOC1=CC=C(C=C1)CC2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O

PubChem CID

45073473

Peso molecolare

399.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Phenoxy compounds Phenol ethers Alkyl aryl ethers Unsaturated fatty acids Dicarboxylic acids and derivatives Trialkylamines Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Diphenylmethane - Phenoxy compound - Phenol ether - Alkyl aryl ether - Dicarboxylic acid or derivatives - Unsaturated fatty acid - Fatty acid - Fatty acyl - Tertiary aliphatic amine - Tertiary amine - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

Proprietà chimiche e fisiche

• Solubilità: Solvent:DMSO, Max Conc. mg/mL: 39.95, Max Conc. mM: 100
• Peso molecolare: 399.500 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 399.205 Da
• Monoisotopic Mass: 399.205 Da
• Topological Polar Surface Area: 87.100 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 369.000
• 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: 2

XLogP3