기본 정보
- CAS
82749-70-0- 표준 SMILES
CCCCC1(C2CCCC2)Cc2cc(OCCCC(=O)O)c(Cl)c(Cl)c2C1=O- InChIKey
KHKGTPJPBOQECW-UHFFFAOYSA-N- 분자식
- C22H28Cl2O4
- 평균 분자량
- 427.4 g/mol
- 단동위원소 질량
- 426.1364648
이름 및 식별자
- 우선 이름
- Dcpib
- IUPAC
- 4-[(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-3H-inden-5-yl)oxy]butanoic acid
- 영어명
- DCPIB
- 분자식
- C22H28Cl2O4
- 분자량
- 427.36
이름 및 동의어
DCPIB82749-70-0DTXSID904351654-[(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy]butanoic acid4-(2-butyl-6,7-dichlor-2-cyclopentyl-indan-1-on-5-yl) oxybutyric acid4-((2-Butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy)butanoic acidRefChem:131058DTXCID10385991636-002-9MFCD077839954-[(2-Butyl-6,7-dichloro-2-cyclopentyl-1-oxo-5-indanyl)oxy]butanoic Acid4-[(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-3H-inden-5-yl)oxy]butanoic Acid
이름 더 보기
DCPIB, 10 mM in DMSO4-(2-BUTYL-6,7-DICHLORO-2-CYCLOPENTYLINDAN-1-ON-5-YL)OXYBUTYRIC ACIDButanoic acid, 4-[(2-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1H-inden-5-yl)oxy]-Cl-Channels,Chloride Channel,cardiomyocytes,DCPIB,ischemia,COS-7,KcsA,Potassium Channel,CPAE cell,Inhibitor,inhibit,swelling,rMCAO
4-[(2-Butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1H-inden-5-yl)oxy]butanoic acidCHEMBL152557GTPL4174orb1219386orb1309784SCHEMBL11025104SCHEMBL29440645CHEBI:91677
데이터베이스 식별자
- CAS
82749-70-0- PubChem CID
- 10071166
- DTXSID
DTXSID90435165- ChEMBL
CHEMBL152557- ChEBI
CHEBI:91677- EC Number
- 636-002-9
- Nikkaji
- J1.666.804D
물성
구조 계산 물성
- XLogP
- 6.8
- 극성 표면적
- 63.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 563
물리화학적 성질
- 끓는 점
- 593.8 · 593.8±50.0 °C(Predicted)
- 밀도
- 1.262 · 1.262±0.06 g/cm3(Predicted)
- 저장 조건
- 4 °C · Store at +4°C
- 용해도
- 2 O; · insoluble in H2O; ≥49.8 mg/mL in EtOH; ≥50.8 mg/mL in DMSO
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 4.53 · 4.53±0.10(Predicted)
- 색상
- 하얀색
- InChI
- 1S/C22H28Cl2O4/c1-2-3-10-22(15-7-4-5-8-15)13-14-12-16(28-11-6-9-17(25)26)19(23)20(24)18(14)21(22)27/h12,15H,2-11,13H2,1H3,(H,25,26)
- InChIKey
- KHKGTPJPBOQECW-UHFFFAOYSA-N
- SMILES
- CCCCC1(Cc2cc(OCCCC(O)=O)c(Cl)c(Cl)c2C1=O)C3CCCC3
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P264, P264+P265, P270, P273, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 (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. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 3 (100%)；Eye Dam. 1 (100%)；Aquatic Chronic 4 (100%)
안전 데이터
- wgk
- WGK 3
- risk_code
- 25-41
- hazard_code
- T
- safety_code
- 26-36/39-45
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도DCPIB is a potent, selective blocker of the volume-sensitive anion channel (VSAC) in rat pancreatic β-cells.
공급사44 곳
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上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
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InvivoChem中国13549236410 · [email protected]
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