기본 정보
- CAS
2097117-06-9- 표준 SMILES
O=C(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)c1sc(-c2ncccn2)nc1C(F)(F)F- InChIKey
FGPQIEDRTXLBES-OAHLLOKOSA-N- 분자식
- C21H19ClF3N5O2S
- 평균 분자량
- 497.9 g/mol
- 단동위원소 질량
- 497.0900082
이름 및 식별자
- 우선 이름
- (S)-N-(2-(4-chlorophenyl)-2-morpholinoethyl)-2-(pyrimidin-2-yl)-4-(trifluoromethyl)thiazole-5-carboxamide
- IUPAC
- N-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
- 영어명
- 5-Thiazolecarboxamide, N-[(2S)-2-(4-chlorophenyl)-2-(4-morpholinyl)ethyl]-2-(2-pyrimidinyl)-4-(trifluoromethyl)-
- 분자식
- C21H19ClF3N5O2S
- 분자량
- 497.92
이름 및 동의어
Lu AF271392097117-06-9Lu-AF27139CHEMBL5086274(S)-N-(2-(4-chlorophenyl)-2-morpholinoethyl)-2-(pyrimidin-2-yl)-4-(trifluoromethyl)thiazole-5-carboxamideN-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamideorb1297877SCHEMBL18818725FGPQIEDRTXLBES-OAHLLOKOSA-NLu AF27139?GLXC-23911EX-A5507
이름 더 보기
Lu AF27139, 10 mM in DMSO(S)-N-[2-(4-Chlorophenyl)-2-morpholinoethyl]-2-(2-pyrimidinyl)-4-(trifluoromethyl)thiazole-5-carboxamide5-Thiazolecarboxamide, N-[(2S)-2-(4-chlorophenyl)-2-(4-morpholinyl)ethyl]-2-(2-pyrimidinyl)-4-(trifluoromethyl)-Inhibitor,P2XRs,oral,P2X7,rodent-active,Lu AF 27139,CNS-penetrant,CNS,Lu AF27139,Lu AF-27139,inhibit,P2X ReceptorN-[(2S)-2-(4-chlorophenyl)-2-(morpholin-4-yl)ethyl]-2-(pyrimidin-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
BDBM50587051MFCD34604077AKOS040759975AF27139DA-55056MS-29242SY392326HY-132981
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 108 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 644
물리화학적 성질
- 밀도
- 1.427 · 1.427±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 125 mg/mL · DMSO : 125 mg/mL (251.04 mM; Need ultrasonic)
- 산도 계수 (pKa)
- 12.83 · 12.83±0.46(Predicted)
- 물리적 상태
- Solid
- 색상
- White to off-white
화학 및 산업
공급사24 곳
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
Aladdin Scientific[email protected]
Nantong HI-FUTURE Biology Co., Ltd.+86-18051384581 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
Wuhan Jingkang en Biomedical Technology Co., Ltd+86-0086-13720134139 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
上海楼岚生物科技有限公司021-52996696，15000506266 15000506266
上海源叶生物科技有限公司18916372613 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…