기본 정보
- CAS
285986-31-4- 표준 SMILES
O=C(NN=Cc1coc2ccccc2c1=O)c1cccnc1- InChIKey
DAVIKTBRCQWOGT-UHFFFAOYSA-N- 분자식
- C16H11N3O3
- 평균 분자량
- 293.28 g/mol
- 단동위원소 질량
- 293.08004122
이름 및 식별자
- 우선 이름
- N-[(4-oxochromen-3-yl)methylideneamino]pyridine-3-carboxamide
- IUPAC
- N-[(4-oxochromen-3-yl)methylideneamino]pyridine-3-carboxamide
- 현지명
- STAT5억제제
- 영어명
- STAT5 Inhibitor
- 분자식
- C16H11N3O3
- 분자량
- 293.28
이름 및 동의어
N-[(4-oxochromen-3-yl)methylideneamino]pyridine-3-carboxamideSCHEMBL2563929N'-[(E)-(4-oxo-4H-chromen-3-yl)methylidene]pyridine-3-carbohydrazideDTXSID9010347783-(nicotinoylhydrazonomethyl)chromoneS6784Q27159809N'-[(4-oxo-4H-1-benzopyran-3-yl)methylidene]pyridine-3-carbohydrazide3-Pyridinecarboxylic acid, 2-[(4-oxo-4H-1-benzopyran-3-yl)methylene]hydrazideSTAT5억제제MDK6314CS-2509
이름 더 보기
STAT5-IN-1STAT5 InhibitorSTAT5 Inhibitor 1STAT5-IN-1 ，S6784STAT5-IN-1, 10 mM in DMSOStat5 Inhibitor(STAT5-IN-1)N'-[(4-oxo-4H-chromen-3-yl)methylene]nicotinohydrazideSTAT-5-IN-1,STAT5IN1,inhibit,STAT5 IN 1,Inhibitor,STAT
데이터베이스 식별자
- CAS
285986-31-4- PubChem CID
- 2726045
- DTXSID
DTXSID901034778
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 80.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 501
물리화학적 성질
- 녹는점
- 214 · 214-216 °C
- 밀도
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C(protect from light)
- 용해도
- 9.58 mg/mL · ≥9.58 mg/mL in DMSO; insoluble in EtOH; insoluble in H2O
- 물리적 상태
- 결정질 고체
- 산도 계수 (pKa)
- 10.44 · 10.44±0.46(Predicted)
- 색상
- White to light yellow
- InChI
- InChI=1S/C16H11N3O3/c20-15-12(10-22-14-6-2-1-5-13(14)15)9-18-19-16(21)11-4-3-7-17-8-11/h1-10H,(H,19,21)
- InChIKey
- DAVIKTBRCQWOGT-UHFFFAOYSA-N
- SMILES
- C1=NC=CC=C1C(NN=CC1C(=O)C2=CC=CC=C2OC=1)=O
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- WGK 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
개요Signal Transducers and Activators of Transcriptions (STATs) are a family of cytoplasmic latent transcription factors that are activated to regulate gene expression in response to a large number of extracellular signaling polypeptides including cytokines, interferons, and growth factors. STAT5, which consists of two isoforms STAT5α and STAT5β, is known to be overactive in several kinds of leukemias and various solid tumors. STAT5 Inhibitor is a cell-permeable, nonpetidic nicotinoyl hydrazone that suppresses STAT5 by targeting its SH2 domain (IC50 = 47 μM against STAT5β SH2 domain EPO peptide binding activity). Comparatively, this compound exhibits reduced potency towards inhibiting the SH2 domain of STAT1, STAT3, or Lck (IC50 > 500 μM). STAT5 Inhibitor has been shown to block STAT5/STAT5 DNA binding in K562 nuclear extracts.
용도2-[(4-Oxo-4H-1-benzopyran-3-yl)methylene]hydrazide-3-pyridinecarboxylic Acid is a selective inhibitor of STAT5.
공급사68 곳
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