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

CAS: 1213269-98-7 Cat. No.: E646581 分子式: C₂₉H₄₄O₃ 分子量: 440.66 PubChem CID: 46184405

グレード＆純度 Moligand™, ≥98%

Synonyms

C.I. Acid Orange 20, free acid|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,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|2,5-Cyclohexadiene-1,4-dione, 2-((3R,6e,10E)-3-hydroxy-3,7,11,15-tetramethyl-6,10,14-hexadecatrien-1-yl)-3,5,6-trimethyl-|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|VATIQUINONE [INN]|EPI-743|alpha Tocotrienol quinone|.alpha.-tocotrienol quinone|Vatiquinone [USAN]|alpha-Tocotrienol quinone|EPI 743;EPI743; Vatiquinone; alpha-Tocotrienol quinone|VATIQUINONE [JAN]|EPI 743|Vatiquinone [USAN:INN]|Vatiquinone|(R)-Alpha-Tocotrienol Quinone|PTC743

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

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.

仕様

同義語

C.I. Acid Orange 20, free acid | 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,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 | 2,5-Cyclohe もっと見る

仕様と純度

Moligand™,≥98%

生化学的・生理学的メカニズム

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

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

MODULATOR

作用メカニズム

Quinone reductase 1) modulator

純度

≥98%

製品の性質

ALogP

7.4

名前と識別子

カノニカル・スマイル

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

異性体SMILES

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

代替CAS番号

1213269-98-7

PubChem CID

46184405

MeSH用語

alpha-tocotrienol quinone;EPI-743

分子量

440.66

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: 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
• 説明: 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

関連ターゲット（非人間）

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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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作用メカニズム

化学的性質と物理的性質

• 溶解度: DMSO : 100 mg/mL (226.93 mM; Need ultrasonic)
• 分子量: 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

よくある質問

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.