기본 정보
- CAS
57265-65-3- 표준 SMILES
Clc1ccc(C(c2ccc(Cl)cc2)n2cc[n+](CC(OCc3ccc(Cl)cc3Cl)c3ccc(Cl)cc3Cl)c2)cc1.[Cl-]- InChIKey
YGEIMSMISRCBFF-UHFFFAOYSA-M- 분자식
- C31H23Cl7N2O
- 평균 분자량
- 687.7 g/mol
- 단동위원소 질량
- 683.963007
개요
Calmidazolium chloride is the organic choride salt of calmidazolium. It has a role as a calmodulin antagonist and an apoptosis inducer. It contains a calmidazolium.
이름 및 식별자
- 우선 이름
- Calmidazolium Chloride
- IUPAC
- 1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazol-3-ium chloride
- 영어명
- CALMIDAZOLIUM CHLORIDE
- 분자식
- C31H23Cl7N2O
- 분자량
- 687.69
이름 및 동의어
calmidazolium chloride57265-65-38CQN259H2WR-24571DTXSID5010172591-(Bis(chlorophenyl)methyl)-3-(2,4-dichloro-beta-(2,4-dichlorobenzyloxy)phenethyl)imidazolinium chlorideRefChem:123008DTXCID001344324Calmidazolium (chloride)R 245711-(Bis(4-chlorophenyl)methyl)-3-(2-((2,4-dichlorobenzyl)oxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazol-3-ium chlorideMFCD00077679
이름 더 보기
COMPOUND 48/80CALMIDAZOLIUMCalimidazolineCOMPOUND R24571R 24571 CHLORIDECalmidazolium chloriCalmidazolium chloride,99%CALMODULIN INHIBITOR R 24571
1-[bis(4-Chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-(2,4-dichlorobenzyloxy)ethyl]-1H-imidazolium chloride1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazol-3-ium;chlorideMLS002172477CHEMBL12088581-[Bis(4-chlorophenyl)methyl]-3-{2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl}-1H-imidazol-3-ium chlorideSMR001254103UNII-8CQN259H2WSR-01000075486
물성
구조 계산 물성
- 극성 표면적
- 18 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 742
물리화학적 성질
- 녹는점
- 172 · 172-176 °C
- 저장 조건
- 2 · 2-8°C
- 용해도
- 100 mM · Soluble to 100 mM in DMSO and to 100 mM in ethanol
- 물리적 상태
- 고체
- 색상
- 하얀색
- 수용성
- 디메틸 설폭사이드, 에탄올, 메탄올, 클로로포름 및 프로필렌 글리콜에 용해됩니다. 물에는 녹지 않음.
- BRN
- 6470244 · 6470244
- InChIKey
- YGEIMSMISRCBFF-UHFFFAOYSA-M
- SMILES
- [Cl-].Clc1ccc(cc1)C(c2ccc(Cl)cc2)[n+]3ccn(CC(OCc4ccc(Cl)cc4Cl)c5ccc(Cl)cc5Cl)c3
화학적 성질
white to off-white powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- rtecs
- Gk2402500
- ridadr
- UN 2811 6.1 / PGII
- HS 번호
- 29332990
- safety_code
- 22-24/25
- F 고인화성물질
- 3-8-10
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Compounds capable of relieving pain without the loss of CONSCIOUSNESS.
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
응용 분야
용도Calmidazolium chloride is a small molecule CaM antagonist and calcium channel protein inhibitor. Calmidazolium chloride demonstrates noncompetitive inhibition of platelet and sarcoplasmic reticulum Ca2+-ATPase activity and shows inhibition of Ca2+transport activity in platelet microsomes. In HeLa cells, calmidazolium chloride stimulates a mechanism of cellular Ca2+influx distinct from store-operated Ca2+entry and unaccompanied by Ca2+store depletion, mobilizing stores and evoking a Ca2+signal through activation of phospholipase C. Calmidazolium chloride is described to inhibit constitutive nitric oxide synthase (NOS) activity without affecting inducible NOS in rat aorta. The dependence upon calmodulin of neuronal NOS (nNOS) in neuroblastoma N1E-115 cells was probed with calmidazolium chloride, where it was demonstrated to increase cGMP levels indirectly indicating an increase in NO output by nNOS. Calmidazolium chloride is also described to inhibit the activity of calmodulin N-methyltransferase.
일반 설명Compound 48/80, is the condensation product of N-methyl p-methoxyphenethylamine and formaldehyde.
공급사43 곳
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
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