기본 정보
- CAS
95013-41-5- 표준 SMILES
Clc1ccc(C(c2ccc(Cl)cc2)n2cc[n+](CC(OCc3ccc(Cl)cc3Cl)c3ccc(Cl)cc3Cl)c2)cc1- InChIKey
CTKNMSVWMRRCPW-UHFFFAOYSA-N- 분자식
- C31H23Cl6N2O+
- 평균 분자량
- 652.2 g/mol
- 단동위원소 질량
- 648.994155
개요
Calmidazolium is an imidazolium ion that is imidazolium cation substituted by a bis(4-chlorophenyl)methyl group at position 1 and a 2-[(2,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl group at position 3. It acts as an antagonist of calmodulin, a calcium binding messenger protein. It has a role as a calmodulin antagonist and an apoptosis inducer.
이름 및 식별자
- 우선 이름
- Calmidazolium
- IUPAC
- 1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazol-3-ium
- 현지명
- 칼미다졸륨
- 영어명
- CALMIDAZOLIUM
- 분자식
- C31H23Cl6N2O
- 분자량
- 652.24512
이름 및 동의어
Calmidazolium95013-41-5Calmidazolium ion4R9H38JAWLR24571CHEBI:754001H-Imidazolium, 1-(bis(4-chlorophenyl)methyl)-3-(2-(2,4-dichlorophenyl)-2-((2,4-dichlorophenyl)methoxy)ethyl)-, chlorideRefChem:1230071-[bis(4-chlorophenyl)methyl]-3-{2-[(2,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazol-3-iumMLS002172477CHEMBL1208858SMR001254103
이름 더 보기
칼미다졸륨R-4571Calmidazolium (cation)1-[Bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-1H-imidazol-3-ium
UNII-4R9H38JAWLSR-01000075486CALMIDAZOLIUM CATIONProbes1_000251Probes2_000292Lopac0_000272methoxy]ethyl]-1H-imidazoliumcid_644274
데이터베이스 식별자
- CAS
95013-41-5- PubChem CID
- 2531
물성
구조 계산 물성
- XLogP
- 10
- 극성 표면적
- 18 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 40
- 형식 전하
- 1
- 복잡도
- 742
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.
공급사2 곳
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
추가 설명
정의ChEBI: An imidazolium ion that is imidazolium cation substituted by a bis(4-chlorophenyl)methyl group at position 1 and a 2-[(2,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl group at position 3. It acts as an inhibitor of calmodulin, a calcium binding messen er protein.
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