EPI-743 - Moligand™,≥98% , Quinone reductase 1) modulator, CAS No.1213269-98-7, Quinone reductase 1) modulator

CAS: 1213269-98-7 Cat. No.: E646581 Fórmula: C₂₉H₄₄O₃ Peso molecular: 440.66 PubChem CID: 46184405

GRAU & PUREZA Moligand™, ≥98%

Synonyms

C.I. Acid Orange 20, free acid | Q27265220 | A937320 | UNII-6O85FK9I0X | 2-[(3R,6E,10E)-3-Hydroxy-3,7,11,15-tetramethylhexadeca-6,10,14-trien-1-yl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione | Decamine (pharmaceutical) | Vatiquinone (JAN/USAN) | 2-((R,6

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Vatiquinone, also known as EPI 743, is a bioavailable para-benzoquinone being developed for inherited mitochondrial diseases. The mechanism of action of EPI-743 involves augmenting the synthesis of glutathione, optimizing metabolic control, enhancing the expression of genetic elements critical for cellular management of oxidative stress, and acting at the mitochondria to regulate electron transport.

Especificações

Sinónimos

C.I. Acid Orange 20, free acid | Q27265220 | A937320 | UNII-6O85FK9I0X | 2-[(3R,6E,10E)-3-Hydroxy-3,7,11,15-tetramethylhexadeca-6,10,14-trien-1-yl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione | Decamine (pharmaceutical) | Vatiquinone (JAN/USAN) | 2-((R,6

Especificações e pureza

Moligand™,≥98%

Mecanismos bioquímicos e fisiológicos

EPI-743 (Vatiquinone; α-Tocotrienol quinone; PTC-743; NCT04378075) is a potent cellular oxidative stress protectant, inhibits ferroptosis in cells, which could be used for the study for mitochondrial diseases. EPI-743 is a synthetic analog of vitamin E wi

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Tipo de ação

MODULATOR

Mecanismo de ação

Quinone reductase 1) modulator

Pureza

≥98%

Propriedades do produto

ALogP

7.4

Nomes e identificadores

Sorrisos canónicos

CC1=C(C(=O)C(=C(C1=O)C)CCC(C)(CCC=C(C)CCC=C(C)CCC=C(C)C)O)C

IUPAC Name

2-[(3R,6E,10E)-3-hydroxy-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione

InChIKey

LNOVHERIIMJMDG-XZXLULOTSA-N

INCHI

1S/C29H44O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8,32)19-17-26-25(7)27(30)23(5)24(6)28(26)31/h12,14,16,32H,9-11,13,15,17-19H2,1-8H3/b21-14+,22-16+/t29-/m1/s1

SMILES isoméricas

CC1=C(C(=O)C(=C(C1=O)C)CC[C@@](C)(CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)C

CAS alternativo

1213269-98-7

PubChem CID

46184405

Termos de entrada MeSH

alpha-tocotrienol quinone;EPI-743

Peso molecular

440.66

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Prenol lipids
      • Subclass Diterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Prenol lipids
• Subclass: Diterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Diterpenoids
• Alternative Parents: Prenylquinones P-benzoquinones Tertiary alcohols Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Diterpenoid - Prenylbenzoquinone - Quinone - P-benzoquinone - Tertiary alcohol - Cyclic ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Alcohol - Aliphatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units.
• 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

Alvos associados (não humanos)

Salmonella typhimurium (15756 Activities)

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Canis familiaris (36305 Activities)

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Rattus norvegicus (775804 Activities)

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CHO (4503 Activities)

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Brain (1 Activities)

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Plasma (328 Activities)

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Serum (58 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMSO : 100 mg/mL (226.93 mM; Need ultrasonic)
• Peso molecular: 440.700 g/mol
• XLogP3: 7.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 440.329 Da
• Monoisotopic Mass: 440.329 Da
• Topological Polar Surface Area: 54.400 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 857.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

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 1213269-98-7, the molecular formula is C29H44O3, and the molecular weight is 440.66 g/mol. InChIKey LNOVHERIIMJMDG-XZXLULOTSA-N.