Diroximel Fumarate - Moligand™, ≥98% , Kelch-like ECH-associated protein 1 inhibitor, CAS No.1577222-14-0, Kelch-like ECH-associated protein 1 inhibitor

CAS: 1577222-14-0 Cat. No.: D413446 Peso molecular: 255.22

GRADE & PURITY Moligand™, ≥98%

Synonyms

DIROXIMEL FUMARATE [WHO-DD] | rac-N(4)-(2,6-dimethoxy-4-methyl-5-(3-(trifluoromethyl)phenoxy)quinolin-8-yl)pentane-1,4-diamine | DIROXIMEL FUMARATE [USAN] | 2-(2,5-DIOXOPYRROLIDIN-1-YL)ETHYL METHYL (2E)-BUT-2-ENEDIOATE | 1-(2-(2,5-Dioxopyrrolidin-1-yl)eth

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

Diroximel Fumarate (ALKS-8700) is a prodrug of monomethyl fumarate in a controlled-release formulation that rapidly and efficiently converts to MMF in the body.

Specifications

Sinónimos

DIROXIMEL FUMARATE [WHO-DD] | rac-N(4)-(2, 6-dimethoxy-4-methyl-5-(3-(trifluoromethyl)phenoxy)quinolin-8-yl)pentane-1, 4-diamine | DIROXIMEL FUMARATE [USAN] | 2-(2, 5-DIOXOPYRROLIDIN-1-YL)ETHYL METHYL (2E)-BUT-2-ENEDIOATE | 1-(2-(2, 5-Dioxopyrrolidin-1-yl)eth

Especificaciones y pureza

Moligand™, ≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

INHIBITOR

Mecanismo de acción

Kelch-like ECH-associated protein 1 inhibitor

Pureza

≥98%

Propiedades del producto

• ALogP: -0.278
• hba_count: 6
• Enlace rotable: 7

Nombres e identificadores

• Pubchem Sid: 504772319
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772319
• Sonrisas canónicas: COC(=O)C=CC(=O)OCCN1C(=O)CCC1=O
• IUPAC Name: 4-O-[2-(2,5-dioxopyrrolidin-1-yl)ethyl] 1-O-methyl (E)-but-2-enedioate
• InChIKey: YIMYDTCOUQIDMT-SNAWJCMRSA-N
• INCHI: 1S/C11H13NO6/c1-17-10(15)4-5-11(16)18-7-6-12-8(13)2-3-9(12)14/h4-5H,2-3,6-7H2,1H3/b5-4+
• Isómeros SMILES: COC(=O)/C=C/C(=O)OCCN1C(=O)CCC1=O
• Peso molecular: 255.22
• Reaxy-Rn: 44173447
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=44173447&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Pyrrolidine-2-ones N-substituted carboxylic acid imides N-alkylpyrrolidines Dicarboxylic acids and derivatives Methyl esters Enoate esters Dicarboximides Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Fatty acid ester - Dicarboxylic acid or derivatives - Carboxylic acid imide, n-substituted - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Carboxylic acid imide - Dicarboximide - Pyrrolidine - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Lactam - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty 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

Objetivos asociados (no humanos)

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

Mecanismos de acción

Propiedades químicas y físicas

• DMSO (mg/ml) Solubilidad máxima: 51
• DMSO (mM) Solubilidad máxima: 199.82759971789
• Agua (mg/ml) Solubilidad máxima: -1
• Peso molecular: 255.220 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 255.074 Da
• Monoisotopic Mass: 255.074 Da
• Topological Polar Surface Area: 90.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 384.000
• 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