Selonsertib

HCID 71245288

기본 정보

CAS: 1448428-04-3
표준 SMILES: Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
분자식: C24H24FN7O
평균 분자량: 445.5 g/mol

개요

Selonsertib is under investigation in clinical trial NCT03053050 (Safety and Efficacy of Selonsertib in Adults With Nonalcoholic Steatohepatitis (NASH) and Bridging (F3) Fibrosis).

이름 및 식별자

우선 이름: Selonsertib
IUPAC: 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
영어명: Selonsertib
분자식: C24H24FN7O
분자량: 445.49

이름 및 동의어

Selonsertib1448428-04-3GS-4997NS3988A2TC5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-yl]benzamide5-(4-cyclopropyl-1H-imidazol-1-yl)-2-fluoro-4-methyl-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}benzamideBenzamide, 5-(4-cyclopropyl-1H-imidazol-1-yl)-2-fluoro-4-methyl-N-(6-(4-(1-methylethyl)-4H-1,2,4-triazol-3-yl)-2-pyridinyl)-BENZAMIDE, 5-(4-CYCLOPROPYL-1H-IMIDAZOL-1-YL)-2-FLUORO-4-METHYL-N-(6-(4-(1-METHYLETHYL)-4H-1,2,4-TRIAZOL-3-YL)-2-PYRIDINYL)selonsertibum5-(4-CYCLOPROPYL-1H-IMIDAZOL-1-YL)-2-FLUORO-4-METHYL-N-(6-(4-(PROPAN-2-YL)-4H-1,2,4-TRIAZOL-3-YL)PYRIDIN-2-YL)BENZAMIDE5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-(6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-yl)benzamideBenzamide, 5-(4-cyclopropyl-1H-imidazol-1-yl)-2-fluoro-4-methyl-N-[6-[4-(1-methylethyl)-4H-1,2,4-triazol-3-yl]-2-pyridinyl]-

이름 더 보기

CS-2217GS-4497ASK-1GS4997GS4997 SELONSERTIBSelonsertib GS-4997

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 90.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 6
무거운 원자 수: 33
형식 전하: 0
복잡도: 692

물리화학적 성질

녹는점: 180 °C · >180°C (dec.)
밀도: 1.39 · 1.39±0.1 g/cm3(Predicted)
저장 조건: -20 °C · -20°C
용해도: DMSO에 용해됨(>25mg/ml)
산도 계수 (pKa): 11.21 · 11.21±0.70(Predicted)
물리적 상태: 고체
색상: 하얀색
안정성: 2 · 제공된 대로 구매일로부터 2년 동안 안정적입니다. DMSO 용액은 -20°C에서 최대 3개월 동안 보관할 수 있습니다.
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
SMILES: C(NC1=NC(C2N(C(C)C)C=NN=2)=CC=C1)(=O)C1=CC(N2C=NC(C3CC3)=C2)=C(C)C=C1F

안전 및 규제

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

GHS 분류

GHS Classification · 4건

Warning

H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

P260, P319, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSTOT RE 2 (100%)

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H373

화학 및 산업

약리 정보

MeSH Pharmacological ClassificationAgents that inhibit PROTEIN KINASES.

응용 분야 · 1건

용도Selonsertib is an apoptosis signal-regulating kinase 1 (ASK1) inhibitor with potential anti-inflammatory, antineoplastic and anti-fibrotic activities. Selonsertib interacts with the catalytic kinase domain of ASK1 and prevents its phosphorylation and activation. As a result, the expression of genes involved in fibrosis, cellular proliferation, and apoptosis are down regulated.

공급사100 곳

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]

Shochem(Shanghai) Co.,Ltd86-21-50800795 · [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]

화합물 노트

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부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1448428-04-3
표준 SMILES: Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
분자식: C24H24FN7O
평균 분자량: 445.5 g/mol

개요

Selonsertib is under investigation in clinical trial NCT03053050 (Safety and Efficacy of Selonsertib in Adults With Nonalcoholic Steatohepatitis (NASH) and Bridging (F3) Fibrosis).