기본 정보
- CAS
139298-40-1- 표준 SMILES
COc1ccc(S(=O)(=O)N(CCO)c2ccccc2CN(C)CC=Cc2ccc(Cl)cc2)cc1- InChIKey
LLLQTDSSHZREGW-UHFFFAOYSA-N- 분자식
- C26H29ClN2O4S
- 평균 분자량
- 501 g/mol
- 단동위원소 질량
- 500.1536563
이름 및 식별자
- 우선 이름
- N-(2-(((3-(4-Chlorophenyl)-2-propen-1-yl)methylamino)methyl)phenyl)-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
- IUPAC
- N-[2-[[3-(4-chlorophenyl)prop-2-enyl-methylamino]methyl]phenyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
- 영어명
- KN-93
- 분자식
- C26H29ClN2O4S
- 분자량
- 501.04
이름 및 동의어
RefChem:1090901139298-40-1N-(2-(((3-(4-Chlorophenyl)-2-propen-1-yl)methylamino)methyl)phenyl)-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamideKN-93 phosphate (water soluble)C26H29ClN2O4SN-(2-(((3-(4-Chlorophenyl)allyl)(methyl)amino)methyl)phenyl)-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamideN-[2-[[[3-(4-Chlorophenyl)-2-propenyl]methylamino]methyl]phenyl]-N-(2-hydroxyethyl)-4 -methoxybenzenesulphonamide phosphateAKOS015994570NCGC00162399-02orb1305151SCHEMBL3066740CHEMBL3199731
이름 더 보기
KN-93KN KNCS-1099KN-93,98%KN-93-H3PO4KN-93(free base)KN-93KN 93KN93KN 93 (Z/E form)InSolution? KN-93KN-93 base or HCI
AMY3402DTXSID401025982(2-[N -(2-hydroxyethyl)]-N -(4-methoxybenzenesulfonyl)]amino-N -(4-chlorocinnamyl)-N -methylbenzylamine)N-[2-(N-(4-Chlorocinnamyl)-N-methylaminomethyl)phenyl]-N-[2-hydroxyethyl]-4-methoxybenzenesulfonamideN-[2-[[[3-(4-Chlorophenyl)allyl](methyl)amino]methyl]phenyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamideN-{2-[N-(4-chlorocinnamyl)-N-methylaminomethyl]phenyl}-N-[2-hydroxyethyl]-4-methoxybenzenesulfonamideHB0360s6787
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 78.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 713
물리화학적 성질
- 끓는 점
- 657.596 · 657.596±65.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.288 · 1.288
- 저장 조건
- 2 · 2-8°C
- 용해도
- 1 mg/mL · DMSO: 1mg/mL
- 물리적 상태
- 회백색 고체
- 산도 계수 (pKa)
- 14.12 · 14.120±0.10(predicted)
- 색상
- 하얀색
- 생물학적 소스
- synthetic (organic)
- 수용성
- 5 mg/mL · water: 5mg/mL
- InChIKey
- LLLQTDSSHZREGW-AATRIKPKSA-N
- SMILES
- OP(O)(O)=O.COc1ccc(cc1)S(=O)(=O)N(CCO)c2ccccc2CN(C)C\C=C\c3ccc(Cl)cc3
화학적 성질
white to off-white powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- HS 번호
- 29299000
- risk_code
- 20/21/22
- hazard_code
- Xn
- safety_code
- 22-24/25-36/37
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
개요KN-93 is a selective inhibitor of Ca2+/calmodulin-dependent kinase type II (CaMKII), competitively blocking CaM binding to the kinase (Ki = 370 nM). It does not affect the activities of PKA, PKC, MLCK, or Ca2+-phosphodiesterase. It inhibits histamine-induced aminopyrine uptake in parietal cells (IC50 = 300 nM). More recently, KN-93 has been used to implicate roles for CaMKII in Ca2+-induced Ca2+ release in cardiac myocytes, constitutive phosphorylation of 5-lipoxygenase in 3T3 cells, and Ca2+-dependent activation of HIF-1α in colon cancer cells.
용도KN-93 has been used: as an inhibitor to block αCaMKII (Ca2+/calmodulin-dependent protein kinase IIα)as CaMKII inhibitor to pre-treat hippocampal slicesto treat the cells, to alter the cytoskeleton (CSK) structure and function during the experiment
일반 설명Cell-permeable, reversible, and competitive inhibitor of rat brain Ca+2/calmodulin-dependent protein kinase II (Ki = 370 nM). KN-93 selectively binds to the Calmodulin (CaM) binding site of the enzyme and prevents the association of CaM with CaM Kinase II. Selectively binds to the CaM binding site of the enzyme and prevents the association of CaM with CaMKII. Has no significant effect on protein kinase A activity. Induces G1 cell cycle arrest and apoptosis in NIH 3T3 cells.
공급사100 곳
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海麦克林生化科技股份有限公司
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