기본 정보
- CAS
103516-75-2- 표준 SMILES
C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1.O=C(O)/C=C\C(=O)O- InChIKey
JDZOTSLZMQDFLG-BTJKTKAUSA-N- 분자식
- C23H39NO4
- 평균 분자량
- 393.6 g/mol
- 단동위원소 질량
- 393.28790873
개요
PERHEXILINE MALEATE is a small molecule drug with a maximum clinical trial phase of IV that was first approved in 1974. It was withdrawn in at least one region.
이름 및 식별자
- 우선 이름
- Perhexiline Maleate
- IUPAC
- (Z)-but-2-enedioic acid;2-(2,2-dicyclohexylethyl)piperidine
- 영어명
- PERHEXILINE MALEATE SALT
- 분자식
- C23H39NO4
- 분자량
- 393.56
이름 및 동의어
Perhexiline maleate6724-53-4Pexid2-(2,2-Dicyclohexylethyl)piperidine maleateDTXSID1021114PexsigNSC-758409K7V8Y90G0HPiperidine, 2-(2,2-dicyclohexylethyl)-, maleate (1:1)Piperidine, 2-(2,2-dicyclohexylethyl)-, (Z)-2-butenedioate (1:1)DTXCID201114RefChem:860306
이름 더 보기
WSM-3978WSM 3978Gperhexilinemaleateperhexilene maleatePERHEXILINE MALEATE SALTPERHEXILINE MALEATE SALT USP/EP/BPPerhexiline maleate, 10 mM in DMSO2-(2,2-dicyclohexylethyl)piperidinemaleate
229-775-5rac Perhexiline MaleatePerhexiline maleate [USAN](Z)-but-2-enedioic acid;2-(2,2-dicyclohexylethyl)piperidineCCRIS 54912-(2,2-Dicyclohexylethyl)piperidine maleate (1:1)Perhexiline maleate, (+)-Perhexiline maleate, (-)-
데이터베이스 식별자
- CAS
103516-75-2、103516-76-3、6724-53-4- PubChem CID
- 5284439
물성
구조 계산 물성
- 극성 표면적
- 86.6 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 364
실험 및 물리화학적 성질
Collision Cross Section179.8 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
물리화학적 성질
- 녹는점
- 181 · 181-183°C
- 저장 조건
- 2 · 2-8°C
- 용해도
- 5 mg/mL · DMSO: ≥5mg/mL
- 물리적 상태
- 가루
- 색상
- 흰색에서 황갈색까지
- InChI
- 1S/C19H35N.C4H4O4/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18;5-3(6)1-2-4(7)8/h16-20H,1-15H2;1-2H,(H,5,6)(H,7,8)/b;2-1-
- InChIKey
- JDZOTSLZMQDFLG-BTJKTKAUSA-N
- SMILES
- OC(=O)\C=C/C(O)=O.C1CCC(CC1)C(CC2CCCCN2)C3CCCCC3
화학적 성질
White Solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS ClassificationNot Classified
유해성 정보
Other Safety InformationIMAP assessments - Piperidine, 2-(2,2-dicyclohexylethyl)-, (Z)-2-butenedioate (1:1): Environment tier I assessment
Hazard Classes and CategoriesNot Classified
독성 정보
Drug Induced Liver Injury
Drug-Induced Liver Injury Severity and Toxicity (DILIst)
perhexiline maleate
DILI Positive
DOI:10.1016/j.drudis.2019.09.022
안전 데이터
- wgk
- 2
- rtecs
- TM7068000
- 독성
- LD50 in rats, mice (g/kg): >7, 4.37 orally (Causa, Perri)
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
개요Perhexiline is a carnitine palmitoyltransferase 1 (CPT1) and CPT2 inhibitor that was originally developed as an anti-anginal drug in the 1970s. It inhibits rat heart and liver CPT1 (IC50 = 77 and 148 μM, respectively) and rat heart CPT2 (IC50 = 79 μM). Inhibition of CPT reduces uptake of long-chain fatty acids into the mitochondria, thereby shifting cellular metabolism from β-oxidation to glycolysis. Perhexilin inhibits mTORC1 signaling at 10 μM and induces autophagy ~7-fold at a concentration of 10 μM in MCF-7 cells.
용도PERHEXILINE MALEATE SALT is a Vasodilator, used in treatments for angina.
일반 설명Perhexiline maleate regulatescoronary vasodilatation and blocks exercise-induced tachycardia. It is used to treat angina pectoris and variant angina. Perhexiline maleate functions as a cardiac metabolic agent. It is associated with peripheral neuropathy, high intracranial pressure withpapilledemaand proximal myopathy.
상·하류 제품 정보
상류 원료
공급사62 곳
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
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