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 Formula: C₁₁H₁₃NO₆ Peso molecolare: 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

Panoramica

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

Sinonimi

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

Specifiche e purezza

Moligand™, ≥98%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Tipo di azione

INHIBITOR

Meccanismo d'azione

Kelch-like ECH-associated protein 1 inhibitor

Purezza

≥98%

Proprietà del prodotto

ALogP

-0.278

hba_count

6

Legame rotabile

7

Nomi e identificatori

Pubchem Sid

504772319

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504772319

Sorrisi canonici

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+

Isomeri SMILES

COC(=O)/C=C/C(=O)OCCN1C(=O)CCC1=O

Peso molecolare

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
    • Classe Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: 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
• Descrizione: 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

Obiettivi associati (non umani)

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• DMSO (mg/mL) Solubilità massima: 51
• DMSO (mM) Solubilità massima: 199.82759971789
• Acqua (mg/mL) Solubilità massima: -1
• Peso molecolare: 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1577222-14-0, the molecular formula is C11H13NO6, and the molecular weight is 255.22 g/mol. InChIKey YIMYDTCOUQIDMT-SNAWJCMRSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.