Gsk-2256098

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기본 정보

CAS: 1224887-10-8
표준 SMILES: CONC(=O)c1ccccc1Nc1cc(Nc2cc(C)nn2C(C)C)ncc1Cl
InChIKey: BVAHPPKGOOJSPU-UHFFFAOYSA-N
분자식: C20H23ClN6O2
평균 분자량: 414.9 g/mol

개요

GSK2256098 is under investigation in clinical trial NCT02523014 (Vismodegib and FAK Inhibitor GSK2256098 in Treating Patients With Progressive Meningiomas).

이름 및 식별자

우선 이름: Gsk-2256098
IUPAC: 2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide
영어명: GSK-2256098
분자식: C20H23ClN6O2
분자량: 414.89

이름 및 동의어

1224887-10-8GSK2256098GSK-2256098R7O0O4110G2-[(5-chloro-2-{[3-methyl-1-(propan-2-yl)-1H-pyrazol-5-yl]amino}pyridin-4-yl)amino]-N-methoxybenzamide2-((5-chloro-2-((3-methyl-1-(propan-2-yl)-1H-pyrazol-5-yl)amino)pyridin-4-yl)amino)-N-methoxybenzamideRefChem:144510FAK Inhibitor GSK2256098Focal Adhesion Kinase Inhibitor GSK22560982-((5-Chloro-2-((1-isopropyl-3-methyl-1H-pyrazol-5-yl)amino)pyridin-4-yl)amino)-N-methoxybenzamideMFCD30502650GTPL7939

이름 더 보기

CS-2424GSK-2256099GSK-2256098, GTPL7939GSK 2256098FAK inhibitor GS2256098GSK2256098, 10 mM in DMSO2-(5-chloro-2-(1-isopropyl-3-methyl-1H-pyrazol-5-ylamino)pyridin-4-ylamino)-N-methoxybenzamide2-[(5-chloro-2-{[3-methyl-1-(1-methylethyl)-1H-pyrazol-5-yl]amino}-4-pyridinyl)amino]-N(methyloxy)benzamide

2-[[5-chloro-2-[[3-methyl-1-(1-methylethyl)-1H-pyrazol-5-yl]amino]-4-pyridinyl]amino]-N-methoxybenzamideBenzamide, 2-[[5-chloro-2-[[3-methyl-1-(1-methylethyl)-1H-pyrazol-5-yl]amino]-4-pyridinyl]amino]-N-methoxy-SCHEMBL691518UNII-R7O0O4110GCHEMBL4742157EX-A671HY-100498Q27077884

데이터베이스 식별자

CAS: 1224887-10-8
PubChem CID: 46214930
ChEMBL: CHEMBL4742157
UNII: R7O0O4110G

물성

구조 계산 물성보충 중

XLogP: 4.5
극성 표면적: 93.1 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 6
회전 가능 결합 수: 7
무거운 원자 수: 29
형식 전하: 0
복잡도: 539

물리화학적 성질

밀도: 1.32 · 1.32±0.1 g/cm3(Predicted)
저장 조건: -20 °C · Store at -20°C
용해도: 47.33 · DMSO:47.33(Max Conc. mg/mL);114.08(Max Conc. mM)DMF:30.0(Max Conc. mg/mL);72.31(Max Conc. mM)Ethanol:56.0(Max Conc. mg/mL);134.98(Max Conc. mM)Ethanol:PBS (pH 7.2) (1:4):0.2(Max Conc. mg/mL);0.48(Max Conc. mM)
물리적 상태: 결정성 고체
산도 계수 (pKa): 5.24 · 5.24±0.10(Predicted)
색상: White to khaki
InChI: InChI=1S/C20H23ClN6O2/c1-12(2)27-19(9-13(3)25-27)24-18-10-17(15(21)11-22-18)23-16-8-6-5-7-14(16)20(28)26-29-4/h5-12H,1-4H3,(H,26,28)(H2,22,23,24)
InChIKey: BVAHPPKGOOJSPU-UHFFFAOYSA-N
SMILES: C(NOC)(=O)C1=CC=CC=C1NC1C(Cl)=CN=C(NC2N(C(C)C)N=C(C)C=2)C=1

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

응용 분야 · 2건

개요GSK2256098 is an inhibitor of focal adhesion kinase (FAK). It is selective for FAK, inhibiting only FAK greater than 50% in a panel of 261 kinases. GSK2256098 inhibits FAK autophosphorylation at tyrosine 397 (Y397) in OVCAR8 ovarian, U87MG glioblastoma, and A549 lung cancer cell lines (IC50s = 15, 8.5, and 12 nM, respectively). It induces apoptosis and increases PARP levels, decreases viability (IC50 = 25 μM), and inhibits colony formation in L3.6P1 cells. GSK2256098 (75 mg/kg per day) also leads to lower tumor weight and fewer metastases in the Ishikawa orthotopic mouse model of uterine cancer.

용도GSK 2256098 is FAK inhibitor. It can be used in biological study of molecular pathways: endothelial cell FAK-A target for cancer treatment.

상·하류 제품 정보

상류 원료

Benzamide, 2-[(2,5-dichloro-4-pyridinyl)amino]-N-methoxy-2-ISOPROPYL-5-METHYL-2 H-PYRAZOL-3-YLAMINE

화합물 노트

불러오는 중…

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1224887-10-8
표준 SMILES: CONC(=O)c1ccccc1Nc1cc(Nc2cc(C)nn2C(C)C)ncc1Cl
InChIKey: BVAHPPKGOOJSPU-UHFFFAOYSA-N
분자식: C20H23ClN6O2
평균 분자량: 414.9 g/mol

개요

GSK2256098 is under investigation in clinical trial NCT02523014 (Vismodegib and FAK Inhibitor GSK2256098 in Treating Patients With Progressive Meningiomas).