Pexmetinib

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기본 정보

CAS: 945614-12-0
표준 SMILES: Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)NCc2cc(F)ccc2Oc2ccc3c(cnn3CCO)c2)cc1
InChIKey: LNMRSSIMGCDUTP-UHFFFAOYSA-N
분자식: C31H33FN6O3
평균 분자량: 556.6 g/mol

개요

Pexmetinib is under investigation in clinical trial NCT04074967 (Study of ARRY-614 Plus Either Nivolumab or Ipilimumab).

이름 및 식별자

우선 이름: Pexmetinib
IUPAC: 1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[[5-fluoro-2-[1-(2-hydroxyethyl)indazol-5-yl]oxyphenyl]methyl]urea
영어명: ARRY-614
분자식: C31H33FN6O3
분자량: 556.63

이름 및 동의어

Pexmetinib945614-12-0ARRY-6141-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[[5-fluoro-2-[1-(2-hydroxyethyl)indazol-5-yl]oxyphenyl]methyl]urea3750D0U8B5N-(3-tert-Butyl-1-p-tolyl-1H-pyrazol-5-yl)-N'-(5-fluoro-2-(1-(2-hydroxyethyl)-1H-indazol-5-yloxy)benzyl)ureaUrea, N-(3-(1,1-dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl)-N'-((5-fluoro-2-((1-(2-hydroxyethyl)-1H-indazol-5-yl)oxy)phenyl)methyl)-pexmetinibum1-(5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl)-3-((5-fluoro-2-(1-(2-hydroxyethyl)indazol-5-yl)oxyphenyl)methyl)ureaRefChem:172186Pexmetinib [INN]Pexmetinib (ARRY-614)

이름 더 보기

pexmetinib,ARRY-614Pexmetinib, 10 mM in DMSOPexmetinib (ARRY-614) ，S7799Autophagy,p38 MAPK,ARRY 614,Pexmetinib,Inhibitor,ARRY614,inhibitN-(3-tert-Butyl-1-p-tolyl-1H-pyrazol-5-yl)-N'-[5-fluoro-2-[1-(2-hydroxyethyl)-1H-indazol-5-yloxy]benzyl]urea1-(3-(tertbutyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(5-fluoro-2-((1-(2-hydroxyethyl)-1H-indazol-5-yl)oxy)benzyl)ureaUrea, N-[3-(1,1-dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl]-N'-[[5-fluoro-2-[[1-(2-hydroxyethyl)-1H-indazol-5-yl]oxy]phenyl]methyl]-

1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(5-fluoro-2-((1-(2-hydroxyethyl)-1H-indazol-5-yl)oxy)benzyl)ureaARRY614A1AWV1073667-64-73-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-[(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-indazol-5-yl]oxy}phenyl)methyl]ureaUNII-3750D0U8B5C31H33FN6O3N-[3-(1,1-Dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl]-N'-[[5-fluoro-2-[[1-(2-hydroxyethyl)-1H-indazol-5-yl]oxy]phenyl]methyl]urea; ARRY-614;

데이터베이스 식별자

CAS: 945614-12-0
PubChem CID: 24765037
ChEMBL: CHEMBL3991932
UNII: 3750D0U8B5

물성

구조 계산 물성보충 중

XLogP: 5.3
극성 표면적: 106 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 6
회전 가능 결합 수: 9
무거운 원자 수: 41
형식 전하: 0
복잡도: 852

물리화학적 성질

끓는 점: 694.1 · 694.1±55.0 °C(Predicted)
밀도: 1.28 · 1.28±0.1 g/cm3(Predicted)
저장 조건: -20 °C · Store at -20°C
용해도: 2 O; · insoluble in H2O; ≥107.6 mg/mL in DMSO; ≥113 mg/mL in EtOH
물리적 상태: 고체
산도 계수 (pKa): 13 · 13.00±0.46(Predicted)
색상: White to off-white

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

용도Pexmetinib is a potent and orally bioavailable dual p38 MAPK/Tie-2 inhibitor preventing tumor growth.

화합물 노트

불러오는 중…

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 945614-12-0
표준 SMILES: Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)NCc2cc(F)ccc2Oc2ccc3c(cnn3CCO)c2)cc1
InChIKey: LNMRSSIMGCDUTP-UHFFFAOYSA-N
분자식: C31H33FN6O3
평균 분자량: 556.6 g/mol

개요

Pexmetinib is under investigation in clinical trial NCT04074967 (Study of ARRY-614 Plus Either Nivolumab or Ipilimumab).