기본 정보
- 표준 SMILES
CCN(CC)CCNC(=O)c1ccc(N)c(Cl)c1- InChIKey
YEYAKZXEBSVURO-UHFFFAOYSA-N- 분자식
- C13H20ClN3O
- 평균 분자량
- 269.77 g/mol
- 단동위원소 질량
- 269.12948994
개요
Declopramide is a third-generation DNA repair inhibitor that modulates multi-drug resistance.
이름 및 식별자
- 우선 이름
- Declopramide
- IUPAC
- 4-amino-3-chloro-N-[2-(diethylamino)ethyl]benzamide
- 현지명
- 데클로프라미드
- 영어명
- Declopramide
- 분자식
- C13H20ClN3O
- 분자량
- 269.77
이름 및 동의어
declopramide891-60-14-Amino-3-chloro-N-[2-(diethylamino)ethyl]benzamide4-amino-3-chloro-n-(2-(diethylamino)ethyl)benzamidedeclopramida3-chloro-procainamideDTXSID20862460916GJF577DdeclopramidumOXi-104RefChem:131321DTXCID00811219
이름 더 보기
데클로프라미드IMO-B4-amino-3-chloro-N-(2-diethylaminoethyl)benzamide4-azanyl-3-chloro-N-(2-diethylaminoethyl)benzamideBenzamide, 4-amino-3-chloro-N-[2-(diethylamino)ethyl]-
3-ChloroprocainamideDeclopramide [INN]UNII-916GJF577DYEYAKZXEBSVURO-UHFFFAOYSA-NSCHEMBL922516orb1700755CHEMBL1618378SCHEMBL30719968
데이터베이스 식별자
- CAS
891-60-1- PubChem CID
- 70177
- DTXSID
DTXSID20862460- ChEMBL
CHEMBL1618378- UNII
- 916GJF577D
- Nikkaji
- J1.088.659G
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 58.4 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 259
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
물리화학적 성질
- 끓는 점
- 404.2 · 404.2±45.0 °C(Predicted)
- 밀도
- 1.153 · 1.153±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.76 · 13.76±0.46(Predicted)
화학 및 산업
약리 정보
Mechanism of Action
Declopramide is a member of the N-substituted benzamide class of DNA repair inhibitors. There are two possible mechanisms of action of declopramide, with one involving (nuclear localizing factor kappaB) NFkB and the other involving the activation of the caspase cascade via the mitochondrial pathway, both of which lead to cell death (apoptosis). Declopramide may also increase the susceptibility of cancer cells to traditional radiation and/or chemotherapy treatment. It is proposed that G2/M cell cycle block is induced by pathways other than the protein 53 (p53) pathway.
공급사5 곳
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
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上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
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