4-((4-에틸피페라진-1-일)메틸)-3-(트리플루오로메틸)아닐린
4-((4-Ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)aniline
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기본 정보
- CAS
630125-91-6- 표준 SMILES
CCN1CCN(Cc2ccc(N)cc2C(F)(F)F)CC1- InChIKey
ZYWCDXFRHUHFNV-UHFFFAOYSA-N- 분자식
- C14H20F3N3
- 평균 분자량
- 287.32 g/mol
이름 및 식별자
- 우선 이름
- 4-((4-Ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)aniline
- IUPAC
- 4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)aniline
- 현지명
- 4-((4-에틸피페라진-1-일)메틸)-3-(트리플루오로메틸)아닐린
- 영어명
- 4-((4-ethylpiperazin-1-yl)Methyl)-3-(trifluoroMethyl)aniline
- 분자식
- C14H20F3N3
- 분자량
- 287.32
이름 및 동의어
630125-91-64-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)aniline4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilineMFCD09909923C14H20F3N34-[(4-Ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)anilineBenzenamine, 4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)-4-[(4-Ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)-benzenamine4-(4-Ethylpiperazin-1-ylmethyl)-3-trifluoromethylaniline4-(4-ethyl-piperazin-1-ylmethyl)-3-trifluoromethyl-phenylamine4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)benzenamineSCHEMBL1279087
이름 더 보기
4-((4-에틸피페라진-1-일)메틸)-3-(트리플루오로메틸)아닐린
SCHEMBL2235330CHEMBL4211518ZYWCDXFRHUHFNV-UHFFFAOYSA-NCS-M1925AKOS017556622DS-8655SY115215DB-366862
데이터베이스 식별자
- CAS
630125-91-6- ChEMBL
CHEMBL4211518
물성
구조 계산 물성보충 중
- XLogP
- 2.1
- 극성 표면적
- 32.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 301
물리화학적 성질
- 끓는 점
- 344.9 · 344.9±42.0 °C(Predicted)
- 밀도
- 1.195 · 1.195±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- 용해도
- soluble in Dichloromethane;
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 7.76 · 7.76±0.10(Predicted)
- 색상
- 노란색
화학 및 산업
응용 분야
용도4-[(4-Ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)-benzenamine is one of the key reactants with N-[1-(4-Aminophenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzamide used in the synthesis of a pyrrolo[3,2-c]pyridine derivative [N-[1-[4-[[[[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]benzamide (I)], an anticancer diarylurea derivative with multiple-kinase inhibitory effect; Also, it is an intermediate used in the synthesis of N-[4-[(4-Ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-N''-[4-[[6-(methylamino)-4-pyrimidinyl]oxy]phenyl]urea (E926495), which is an inhibitor of RET, FLT3, KDR, c-Abl and c-Kit. Also, it prevent the growth of human thyroid cancer cells.
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