MG 624 - ≥98% , CAS No.77257-42-2

CAS: 77257-42-2 Cat. No.: M275983 分子式: C₂₂H₃₀INO 分子量: 451.38 PubChem CID: 6433339

GRADE & PURITY ≥98%

Synonyms

N,N,N-triethyl-2-[4-[(1E)-2-phenylethenyl]phenoxy]-ethanaminium, monoiodide | NSC706725 | UNII-19B3530KQ6 | SCHEMBL27296 | HMS2231N08 | HY-107672 | DTXCID0025781 | Stilonio ioduro | SR-01000597761-1 | STILONIUM IODIDE [INN] | Tox21_500765 | (+-)-BN-1270 |

Storage

20℃、アルゴンチャージ、乾燥保存

Shipped In

アイスチェスト＋アイスパッド

概要

20℃で保存する。乾燥条件下で保存する。製品は12ヶ月間保存可能。

Specifications

同義語

N,N,N-triethyl-2-[4-[(1E)-2-phenylethenyl]phenoxy]-ethanaminium, monoiodide | NSC706725 | UNII-19B3530KQ6 | SCHEMBL27296 | HMS2231N08 | HY-107672 | DTXCID0025781 | Stilonio ioduro | SR-01000597761-1 | STILONIUM IODIDE [INN] | Tox21_500765 | (+-)-BN-1270 |

仕様と純度

≥98%

生化学的・生理学的メカニズム

選択的α7 nACh受容体拮抗薬（α7およびα4β2サブタイプへのα-ブンガロトキシン結合を阻止するK i値はそれぞれ0.1および84μM）。Egr-1レベルを低下させる。血管新生阻害作用を示す。

保管条件

20℃、アルゴンチャージ、乾燥保存

入荷

アイスチェスト＋アイスパッド

アクションタイプ

ANTAGONIST

注

可能な限り、溶液はその日のうちに調製し、使用すること。ただし、事前にストック溶液を調製する必要がある場合は、密栓したバイアルに分注した溶液を-20℃で保存することをお勧めします。通常、これらは1ヶ月間使用可能です。使用前、バイアルを開封する前に、製品を少なくとも1時間室温に平衡化させることをお勧めします。溶解性、使用方法、取り扱いについて、さらに詳しいアドバイスが必要ですか？詳しくは、よくある質問（FAQ）のページをご覧ください。

純度

≥98%

名前と識別子

パブケム・シド

504764149

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504764149

カノニカル・スマイル

CC[N+](CC)(CC)CCOC1=CC=C(C=C1)C=CC2=CC=CC=C2.[I-]

IUPAC Name

triethyl-[2-[4-[(E)-2-phenylethenyl]phenoxy]ethyl]azanium;iodide

InChIKey

RDTKUZXIHMTSJO-UEIGIMKUSA-M

INCHI

1S/C22H30NO.HI/c1-4-23(5-2,6-3)18-19-24-22-16-14-21(15-17-22)13-12-20-10-8-7-9-11-20;/h7-17H,4-6,18-19H2,1-3H3;1H/q+1;/p-1/b13-12+;

異性体SMILES

CC[N+](CC)(CC)CCOC1=CC=C(C=C1)/C=C/C2=CC=CC=C2.[I-]

PubChem CID

6433339

分子量

451.38

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 分類 Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 分類: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Styrenes Phenoxy compounds Phenol ethers Alkyl aryl ethers Tetraalkylammonium salts Organopnictogen compounds Organic iodide salts Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Phenoxy compound - Phenol ether - Styrene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Quaternary ammonium salt - Tetraalkylammonium salt - Ether - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic iodide salt - Organic salt - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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（人間）

CHRNA7 Tchem Neuronal acetylcholine receptor subunit alpha-7 (2 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CHRNA7 Tchem Neuronal acetylcholine receptor protein alpha-7 subunit (3524 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GBA1 Tclin Beta-glucocerebrosidase (14647 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

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SH-SY5Y (11521 Activities)

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U2OS (164939 Activities)

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U-87 MG (3946 Activities)

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A549 (127892 Activities)

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KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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GMNN Tbio Geminin (128009 Activities)

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APOBEC3A Tchem Probable DNA dC->dU-editing enzyme APOBEC-3A (890 Activities)

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APOBEC3G Tchem DNA dC->dU-editing enzyme APOBEC-3G (12481 Activities)

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BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)

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ATXN2 Tbio Ataxin-2 (54410 Activities)

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CTDSP1 Tchem Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 (1031 Activities)

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CHRNB2 Tclin Neuronal acetylcholine receptor; alpha4/beta2 (3972 Activities)

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IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

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CHRNA9 Tchem Neuronal acetylcholine receptor; alpha9/alpha10 (227 Activities)

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TARDBP Tchem TAR DNA-binding protein 43 (40113 Activities)

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HEK-293T (167025 Activities)

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Plasmodium falciparum (966862 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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CHRNA7 Neuronal acetylcholine receptor subunit alpha-7 (10 Activities)

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TGR Thioredoxin glutathione reductase (28579 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Chrna3 Neuronal acetylcholine receptor; alpha3/beta4 (1368 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: Soluble in ethanol to 10 mM and in DMSO to 10 mM
• 感度: Air sensitive
• 分子量: 451.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 451.137 Da
• Monoisotopic Mass: 451.137 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 339.000
• 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

よくある質問

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.

How should this product be stored?

Store at ?20 °C, desiccated, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 77257-42-2, the molecular formula is C22H30INO, and the molecular weight is 451.38 g/mol. InChIKey RDTKUZXIHMTSJO-UEIGIMKUSA-M.

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.