Pifithrin
기본 정보
- CAS
63208-82-2- 표준 SMILES
Br.Cc1ccc(C(=O)Cn2c3c(sc2=N)CCCC3)cc1- InChIKey
HAGVCKULCLQGRF-UHFFFAOYSA-N- 분자식
- C16H19BrN2OS
- 평균 분자량
- 367.3 g/mol
- 단동위원소 질량
- 366.04015
개요
Pifithrin-alpha hydrobromide is a hydrobromide salt prepared from 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-methylphenyl)ethanone and one equivalent of hydrogen bromide. It is a chemical that inhibits p53-mediated gene activation and apoptosis. It has a role as a p53 inhibitor, a hepatoprotective agent, an apoptosis inhibitor and an aryl hydrocarbon receptor agonist. It contains a 3-[2-(4-methylphenyl)-2-oxoethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2(3H)-iminium.
이름 및 식별자
- 우선 이름
- Pifithrin
- IUPAC
- 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-methylphenyl)ethanone;hydrobromide
- 영어명
- Pifithrin-α (PFTα)
- 분자식
- C16H19BrN2OS
- 분자량
- 367.3
이름 및 동의어
Pifithrin-alpha63208-82-2PFT-alphapifithrinD213B92S1Y1-(4-Methylphenyl)-2-(4,5,6,7-tetrahydro-2-imino-3(2H)-benzothiazolyl)ethanone hydrobromide (1:1)Ethanone, 1-(4-methylphenyl)-2-(4,5,6,7-tetrahydro-2-imino-3(2H)-benzothiazolyl)-, hydrobromide (1:1)DTXSID104329941-(4-Methylphenyl)-2-(4,5,6,7-tetrahydro-2-imino-3(2H)-benzothiazolyl)ethanone hydrobromidePFT alphaRefChem:174224DTXCID901778946
이름 더 보기
Pifithrin-αPifithrin-α hydrobromidePFTαCS-607CS-1772PFTα HBr(PFTαZinc03874684Pifithrin-α HBr
2-(2-imino-4,5,6,7-tetrahydrobenzothiazol-3-yl)-1-p-tolylethanonePifithrin-alpha hydrobromidepifithrin alphaPifithrin-alpha HBrPifithrin-alpha (PFTalpha)2-(2-Imino-4,5,6,7-tetrahydrobenzothiazol-3-yl)-1-p-tolylethanone hydrobromide2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-methylphenyl)ethanone,hydrobromidePFTalpha
물성
구조 계산 물성
- 극성 표면적
- 69.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 449
물리화학적 성질
- 녹는점
- 192.1 · 192.1-192.5 °C(lit.)
- 저장 조건
- -20 °C · -20°C
- 용해도
- 20 mg/mL · DMSO: 20mg/mL
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 9.11 · 9.11(at 25℃)
- 색상
- 회백색
- 안정성
- 1 · 제공된 대로 구매일로부터 1년 동안 안정적입니다. DMSO 용액은 -20°C에서 최대 3개월 동안 보관할 수 있습니다.
- InChI
- InChI=1S/C16H18N2OS.BrH/c1-11-6-8-12(9-7-11)14(19)10-18-13-4-2-3-5-15(13)20-16(18)17;/h6-9,17H,2-5,10H2,1H3;1H
- InChIKey
- HAGVCKULCLQGRF-UHFFFAOYSA-N
- SMILES
- C12CCCCC=1SC(=N)N2CC(=O)C1=CC=C(C)C=C1.Br
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- HS 번호
- 2934.20.8000
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
개요Pifithrin-α is an inactivator of p53 that blocks p53-dependent transcriptional activation and apoptosis. It prevents p53-mediated apoptosis induced by cytotoxic compounds in C8 cells at 10 μM and in human umbilical vein endothelial cells at 30 μM. Pifithrin-α can also protect cells from DNA damage-induced apoptosis by a p53-independent mechanism that might involve cyclin D1.
용도Pifithrin-α has been used:to study the effect of specific p53 inhibitor on p53-upregulated modulator of apoptosis (PUMA) expression after transient global cerebral ischemia (tGCI)as p53 inhibitor to treat PA1 cellsas a tumor protein p53 (TRP53) inhibitor, to treat mouse lung epithelial-12 (MLE-12) cells
일반 설명A cell-permeable chemical inhibitor of p53. Reversibly inhibits p53-dependent transactivation of p53-responsive genes and reversibly blocks p53-mediated apoptosis. Inhibits p53-dependent growth arrest of human diploid fibroblasts in response to DNA damage but has no effect on p53-deficient fibroblasts. Protects normal tissues from the deleterious side effects of chemotherapy. Has been reported to protect neurons against β-amyloid peptide and glutamate-induced apoptosis.
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