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기본 정보
- CAS
717906-29-1- 표준 SMILES
CN(c1ccccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O- InChIKey
POJZIZBONPAWIV-UHFFFAOYSA-N- 분자식
- C22H21F3N6O3S
- 평균 분자량
- 506.51 g/mol
- 단동위원소 질량
- 506.13479419
이름 및 식별자
- 우선 이름
- N-Methyl-N-{2-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]phenyl}methanesulfonamide
- IUPAC
- N-Methyl-N-{2-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]phenyl}methanesulfonamide
- 영어명
- N-Methyl-N-[2-[[[2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-trifluoromethylpyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide
- 분자식
- C22H21F3N6O3S
- 분자량
- 506.5
이름 및 동의어
CS-257PF 431396, >=98%PF-431396 hydratePF-431396PF431396PF-431396, 10 mM in DMSON-Methyl-N-(2-(((2-((2-oxoindolin-5-yl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)amino)methyl)pN-methyl-N-(2-((2-(2-oxoindolin-5-ylamino)-5-(trifluoromethyl)pyrimidin-4-ylamino)methyl)phenyl)methanesulfonamideN-methyl-N-[2-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamideN-Methyl-N-[2-[[[2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-trifluoromethylpyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamideN-[2-[[[2-[(2,3-Dihydro-2-oxo-1H-indol-5-yl)aMino]-5-(trifluoroMethyl)-4-pyriMidinyl]aMino]Methyl]phenyl]-N-MethylMethanesulfonaMide
데이터베이스 식별자
- CAS
717906-29-1- PubChem CID
- 11598628
- DTXSID
DTXSID50469204- ChEMBL
CHEMBL472212- ChEBI
물성
물리화학적 성질
- 밀도
- 1.506 · 1.506
- 저장 조건
- 2 · 2-8°C
- 용해도
- 10 mg/mL · DMSO: ≥10mg/mL
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 13.66 · 13.66±0.20(Predicted)
- 색상
- 황백색에서 청회색까지
- InChIKey
- XSXCARUUZVMRGX-UHFFFAOYSA-N
- SMILES
- O.CN(c1ccccc1CNc2nc(Nc3ccc4NC(=O)Cc4c3)ncc2C(F)(F)F)S(C)(=O)=O
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGIII
- risk_code
- 25-36
- hazard_code
- T
- safety_code
- 26-45
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
응용 분야
개요Proline-rich tyrosine kinase 2 (PYK2) and focal adhesion kinase (FAK) are nonreceptor tyrosine kinases that constitute the focal adhesion kinase subfamily. PYK2 is expressed in both bone-forming osteoblasts and bone-resorbing osteoclasts where it has a positive role in osteoclast maturation and bone resorption. PF-431396 is a pyrimidine-based dual inhibitor of FAK and PYK2 (IC50s = 2 and 11 nM, respectively). In ovariectomized rats, it has been shown to increase bone formation, promoting osteoblast recruitment and activity.
용도PF 431396 is a dual focal adhesion kinase (FAK) and proline-rich tyrosine kinase 2 (PYK2) inhibitor (IC50 values are 2 and 11 nM respectively). Promotes osteoblast recruitment and activity, and stimulates bone formation in ovariectomized rats.
공급사91 곳
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
上海冬洋生物科技有限公司0512-13601744364 13601744364 · [email protected]
湖北科乐精细化工有限公司
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