기본 정보
- CAS
116287-14-0- 표준 SMILES
C[C@H](CN1CCCC1)C(=O)c1ccc(C(F)(F)F)cc1- InChIKey
RYZCWZZJFAKYHX-LLVKDONJSA-N- 분자식
- C15H18F3NO
- 평균 분자량
- 285.3 g/mol
- 단동위원소 질량
- 285.13404868
개요
Lanperisone is a 2-methyl-3-(pyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one in which the methyl group at position 2 adopts R-configuration. It is a muscle relaxant and induces ferroptosis in cancer cells. It has a role as a ferroptosis inducer, an antineoplastic agent, a calcium channel blocker, a voltage-gated sodium channel blocker and a muscle relaxant. It is a conjugate base of a lanperisone(1+).
이름 및 식별자
- 우선 이름
- Lanperisone
- IUPAC
- (2R)-2-methyl-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one
- 현지명
- 란페리손
- 영어명
- Lanperisone
- 분자식
- C15H18F3NO
- 분자량
- 285.307
이름 및 동의어
Lanperisone116287-14-0lanperisonaLanperisone [INN]UNII-TO2JP2G53HlanperisonumTO2JP2G53HCHEBI:176339(-)-(R)-2-Methyl-3-(1-pyrrolidinyl)-4'-(trifluoromethyl)propiophenone(2R)-2-methyl-3-(1-pyrrolidinyl)-1-[4-(trifluoromethyl)phenyl]-1-propanone(2R)-2-METHYL-3-(PYRROLIDIN-1-YL)-1-[4-(TRIFLUOROMETHYL)PHENYL]PROPAN-1-ONE(2R)-2-methyl-3-(1-pyrrolidinyl)-1-(4-(trifluoromethyl)phenyl)-1-propanone
이름 더 보기
란페리손1-Propanone, 2-methyl-3-(1-pyrrolidinyl)-1-[4-(trifluoromethyl)phenyl]-, (2R)-
(2R)-2-methyl-3-(pyrrolidin-1-yl)-1-(4-(trifluoromethyl)phenyl)propan-1-oneRefChem:152291(2R)-2-methyl-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-oneNCGC00183000-01(R)-2-methyl-3-(pyrrolidin-1-yl)-1-(4-(trifluoromethyl)phenyl)propan-1-oneSCHEMBL570832orb1696620CHEMBL1951050
데이터베이스 식별자
- CAS
116287-14-0- PubChem CID
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 20.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 329
물리화학적 성질
- 끓는 점
- 360 · 360.0±42.0 °C(Predicted)
- 밀도
- 1.17 · 1.170±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.62 · 9.62±0.20(Predicted)
화학 및 산업
공급사6 곳
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
HANGZHOU CLAP TECHNOLOGY CO.,LTD86-571-88216897,88216896 13588875226 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
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