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기본 정보
- CAS
1394820-77-9- 표준 SMILES
Cc1c(C(=O)Nc2ccc(Oc3ccnc4cc(OCC(C)(C)O)ccc34)c(F)c2)c(=O)n(-c2ccccc2)n1C.Cc1ccc(S(=O)(=O)O)cc1- InChIKey
NAUYISNCVNUUDK-UHFFFAOYSA-N- 분자식
- C38H37FN4O8S
- 평균 분자량
- 728.8 g/mol
개요
Ningetinib Tosylate is the tosylate salt form of ningetinib, an orally available inhibitor of the receptor tyrosine kinases c-MET/hepatocyte growth factor receptor (HGFR), vascular endothelial growth factor receptor 2 (VEGFR2 KDR), Axl (UFO), Mer, and Fms-like tyrosine kinase 3 (Flt3; CD135; STK1; FLK2), with antineoplastic activity. Upon administration, ningetinib binds to a variety of kinases, including c-Met, VEGFR2, Axl, Mer and Flt3, thereby inhibiting their signaling pathways. This inhibits growth, angiogenesis and metastasis of tumor cells that overexpress these kinases. c-Met, VEGFR2, Axl, Mer and Flt3 are overexpressed by many tumor cell types and play key roles in tumor cell proliferation, survival, invasion and metastasis.
이름 및 식별자
- 우선 이름
- Ningetinib Tosylate
- IUPAC
- N-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;4-methylbenzenesulfonic acid
- 영어명
- Ningetinib Tosylate
- 분자식
- C38H37FN4O8S
- 분자량
- 728.7857832
이름 및 동의어
Ningetinib Tosylate1394820-77-9CT-053-ptsaR7I5725FESUNII-R7I5725FESN-(3-Fluoro-4-((7-(2-hydroxy-2-methyl-propoxy)-4-quinolyl)oxy)phenyl)-1,5-dimethyl-3-oxo-2-phenyl-pyrazole-4-carboxamide, 4-methylbenzenesulfonic acidNINGETINIB TOSYLATE [WHO-DD]1H-Pyrazole-4-carboxamide, N-(3-fluoro-4-((7-(2-hydroxy-2-methylpropoxy)-4-quinolinyl)oxy)phenyl)-2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-, 4-methylbenzenesulfonate (1:1)CT-053 tosylateRefChem:165959CT-053PTSAN-(3-fluoro-4-((7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl)oxy)phenyl)-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide p-toluenesulfonate
이름 더 보기
112176CT-053Ningetinib (Tosylate)Ningetinib-Tosylate(tosylate)Ningetinib Tosylate, 10 mM in DMSONingetinib Tosylate (CT-053 Tosylate)N-(3-Fluoro-4-((7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl)oxy)phenyl)-1,5-dimethyl-3-oxo-2-phVEGFR,c-Met/HGFR,Inhibitor,TAM Receptor,Tyro3,inhibit,Axl,Vascular endothelial growth factor receptor,Ningetinib,Ningetinib Tosylate,Mer
물성
구조 계산 물성보충 중
- 극성 표면적
- 167 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 52
- 형식 전하
- 0
- 복잡도
- 1,190
물리화학적 성질
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 용해도
- 33.33 mg/mL · DMSO: 33.33 mg/mL (45.73 mM); Water: < 0.1 mg/mL (insoluble)
- 물리적 상태
- Solid
- 색상
- White to off-white
- InChIKey
- NAUYISNCVNUUDK-UHFFFAOYSA-N
- SMILES
- N1(C)C(C)=C(C(NC2=CC=C(OC3=C4C(=NC=C3)C=C(OCC(O)(C)C)C=C4)C(F)=C2)=O)C(=O)N1C1=CC=CC=C1.C1(S(O)(=O)=O)=CC=C(C)C=C1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- HS 번호
- 2933998090
화학 및 산업
공급사34 곳
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
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Aladdin Scientific[email protected]
上海波以尔化工有限公司[email protected]
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