기본 정보
- CAS
442633-00-3- 표준 SMILES
Cc1[nH]c2ccccc2c1CCNC(=O)c1ccccc1F- InChIKey
UXRKUKRXVWJFER-UHFFFAOYSA-N- 분자식
- C18H17FN2O
- 평균 분자량
- 296.3 g/mol
- 단동위원소 질량
- 296.13249133
개요
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a member of the class of indoles that is 2-methyltryptamine in which a hydrogen attached to the primary amino group has been replaced by a 2-fluorobenzoyl group.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.
이름 및 식별자
- 우선 이름
- CK-666
- IUPAC
- 2-fluoro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
- 영어명
- 2-Fluoro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
- 분자식
- C18H17FN2O
- 분자량
- 296.34
이름 및 동의어
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
이름 더 보기
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
데이터베이스 식별자
- CAS
442633-00-3- PubChem CID
- 589075
- DTXSID
DTXSID70343330- ChEBI
CHEBI:78843
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 44.9 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 389
물리화학적 성질
- 끓는 점
- 528.2 · 528.2±50.0 °C(Predicted)
- 밀도
- 1.235 · 1.235±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 25 mg/mL · DMSO: ≥25mg/mL
- 산도 계수 (pKa)
- 13.86 · 13.86±0.46(Predicted)
- 물리적 상태
- 가루
- 색상
- 흰색에서 황갈색까지
- 안정성
- 1 · 제공된 대로 구매일로부터 1년 동안 안정적입니다. DMSO 또는 에탄올 용액은 -20°C에서 최대 3개월 동안 보관할 수 있습니다.
- 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
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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.
유해성 정보
Hazard Classes and CategoriesEye Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- risk_code
- 36
- hazard_code
- Xi
- safety_code
- 26
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도CK-666 may be used to study Arp2/3-mediated structural changes in cells.
일반 설명A 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.
공급사37 곳
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
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