基本情報
- CAS
442633-00-3- 標準SMILES
Cc1[nH]c2ccccc2c1CCNC(=O)c1ccccc1F- InChIKey
UXRKUKRXVWJFER-UHFFFAOYSA-N- 分子式
- C18H17FN2O
- 平均分子量
- 296.3 g/mol
- 単同位体質量
- 296.13249133
概要
CK-666 is a member of the class of indoles that is 2-methyltryptamine in which a hydrogen attached to the primary amino group has been replaced by a 2-fluorobenzoyl group. It is a cell-permeable inhibitor of actin assembly mediated by actin-related protein Arp2/3 complex which works by binding to Arp2/3 complex, stabilising the inactive state of the complex and preventing its movement into the active conformation. It has a role as an actin polymerisation inhibitor. It is a member of benzamides, a member of indoles and an organofluorine compound.
名称と識別子
- 優先名称
- CK-666
- IUPAC
- 2-fluoro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
- 英語名
- 2-Fluoro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
- 分子式
- C18H17FN2O
- 分子量
- 296.34
名称と別名
CK-666CK-0944666CHEBI:78843RefChem:918753442633-00-32-fluoro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamideCK 6662-Fluoro-N-(2-(2-methyl-1H-indol-3-yl)ethyl)benzamideMFCD030362713ukrUXRKUKRXVWJFER-UHFFFAOYSA-NOprea1_850670
名称をさらに表示
CK-666 ，S7690CK 666 (CK 0944666)CK-666, 10 mM in DMSOArp2/3 Complex Inhibitor I, CK-666CK 666, Actin polymerization inhibitor2-Fluoro-N-[2-(2-methyl-3-indolyl)ethyl]benzamideBenzamide, 2-fluoro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-
orb1309829SCHEMBL3382638SCHEMBL29576885DTXSID703433302-Fluoro-N-[2-(2-methyl-1H-indol-3-yl)-ethyl]-benzamideCK666SSA63300NSC821559
データベース識別子
- CAS
442633-00-3- PubChem CID
- 589075
- DTXSID
DTXSID70343330- ChEBI
CHEBI:78843
物性
構造計算による物性
- XLogP
- 3.8
- 極性表面積
- 44.9 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 2
- 回転可能結合数
- 4
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 389
物理化学的性質
- 沸点
- 528.2 · 528.2±50.0 °C(Predicted)
- 比重(密度)
- 1.235 · 1.235±0.06 g/cm3(Predicted)
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- 25 mg/mL以上 · DMSO：25mg/mL以上
- 酸解離定数(Pka)
- 13.86 · 13.86±0.46(Predicted)
- 外見
- 粉
- 色
- 白から黄褐色
- 安定性
- -20 °Cで最大3か月保存できます。 · DMSO溶液またはエタノール溶液で-20°Cで最大3か月保存できます。
- InChI
- 1S/C18H17FN2O/c1-12-13(14-6-3-5-9-17(14)21-12)10-11-20-18(22)15-7-2-4-8-16(15)19/h2-9,21H,10-11H2,1H3,(H,20,22)
- InChIKey
- UXRKUKRXVWJFER-UHFFFAOYSA-N
- SMILES
- Cc1[nH]c2ccccc2c1CCNC(=O)c3ccccc3F
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
危険有害性情報
Hazard Classes and CategoriesEye Irrit. 2 (100%)
安全データ
- wgk
- 3
- risk_code
- 36
- hazard_code
- Xi
- safety_code
- 26
- ストレージクラス
- 11 - Combustible Solids
化学と産業
応用分野
使用CK-666 may be used to study Arp2/3-mediated structural changes in cells.
一般的な説明A cell-permeable indolyl-fluorobenzamide compound that selectively inhibits actin assembly mediated by actin-related protein Arp2/3 complex of human, bovine, fission yeast S. pombe, and budding yeast S. cerevisiae origin (IC50 = 4, 17, 5, and 12 μM, respectively), without affecting S. pombe formin domain Cdc12(FH2)-mediated or the spontaneous actin polymerization. Shown to inhibit the actin filament "comet tails" formation around intracellular Listeria in infected SKOV3 cells (IC50 = 7 μM) in a reversible manner. Structrual studies indicate that CK-666 targets a pocket formed between subdomain 4 of Arp2 and subdomain 1 of Arp3, preventing Arp2/3 from shifting into an active conformation upon N-WASP-VCA binding. CK-666 and CK-869 (Cat. No. 182516) exhibit different modes of binding, resulting in their different yeast cross-reactivities. CK-689 (Cat. No. 182517) can serve as a negative control.
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United Life Science020-82099279 18988968278 · [email protected]
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