기본 정보
- CAS
1420071-30-2- 표준 SMILES
N=C1S/C(=C\c2ccc(-c3ccc4c(c3)C(=O)NC4=O)o2)C(=O)N1c1ccc(Br)cc1- InChIKey
ULBOWKXOFOTCMU-NLDKGBHCSA-N- 분자식
- C22H12BrN3O4S
- 평균 분자량
- 494.3 g/mol
개요
See other relationships...
이름 및 식별자
- 우선 이름
- Bioymifi
- IUPAC
- 5-[5-[(Z)-[3-(4-bromophenyl)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]isoindole-1,3-dione
- 영어명
- 1H-Isoindole-1,3(2H)-dione, 5-[5-[[3-(4-broMophenyl)-2-iMino-4-oxo-5-thiazolidinylidene]Methyl]-2-furanyl]-
- 분자식
- C22H12BrN3O4S
- 분자량
- 494.32
이름 및 동의어
Bioymifi1420071-30-2MFCD28118988Bioymifi (~90%)(Z)-5-(5-((3-(4-Bromophenyl)-2-imino-4-oxothiazolidin-5-ylidene)methyl)furan-2-yl)isoindoline-1,3-dione(Z)-5-(5-[(3-[4-Bromophenyl]-2-imino-4-oxothiazolidin-5-ylidene)methyl]furan-2-yl)isoindoline-1,3-dione1H-Isoindole-1,3(2H)-dione, 5-[5-[[(5Z)-3-(4-bromophenyl)-2-imino-4-oxo-5-thiazolidinylidene]methyl]-2-furanyl]-5-[5-[(Z)-[3-(4-bromophenyl)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]isoindole-1,3-dione5-[5-[[(5Z)-3-(4-Bromophenyl)-2-imino-4-oxo-5-thiazolidinylidene]methyl]-2-furanyl]-1H-isoindole-1,3(2H)-dione5-(5-{[(5Z)-3-(4-bromophenyl)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-2,3-dihydro-1H-isoindole-1,3-dioneDR5 ActivatorC22H12BrN3O4S
이름 더 보기
CS-1259(DR5 ACTIVATOR)Bioymifi >=98% (HPLC)Bioymifi, 1420071-30-2Bioymifi, DR5 ActivatorBioymifi, 10 mM in DMSOBioymifi,DR5 Activator, >95%Bioymifi/High quality/Best price
Bioymifi?1H-Isoindol5-[5-[[(5Z)-3-(4-Bromophenyl)-2-imino-4-oxo-5-thiazolidinylidene]methyl]-2-furanyl]-1H-isoindole-1,3(2H)-dione; (Z)-5-(5-((3-(4-Bromophenyl)-2-imino-4-oxothiazolidin-5-ylidene)methyl)furan-2-yl)isoindoline-1,3-dione;orb1226322orb1306582CHEMBL4442904SCHEMBL25865505SCHEMBL29468180
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 129 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 841
물리화학적 성질
- 밀도
- 1.75 · 1.75±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 2 mg/mL, · DMSO: 용해성2mg/mL, 투명(가온)
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 9.62 · 9.62±0.20(Predicted)
- 색상
- 주황색에서 진한 주황색 빨간색까지
- InChI
- 1S/C22H12BrN3O4S/c23-12-2-4-13(5-3-12)26-21(29)18(31-22(26)24)10-14-6-8-17(30-14)11-1-7-15-16(9-11)20(28)25-19(15)27/h1-10,24H,(H,25,27,28)/b18-10-,24-22
- InChIKey
- ULBOWKXOFOTCMU-NLDKGBHCSA-N
- SMILES
- S1\C(=C/c3[o]c(cc3)c4cc5c(cc4)C(=O)NC5=O)\C(=O)N(C1=N)c2ccc(cc2)Br
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- risk_code
- 22
- hazard_code
- Xn
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
개요Apoptosis is induced by certain cytokines including TNF and Fas ligand in the TNF family through their death domain containing receptors. TNF-related apoptosis-inducing ligand (TRAIL or Apo2L), a member of this family, activates apoptosis in a variety of tumor cell lines by signaling through the death receptors, DR4 and DR5. Bioymifi directly activates DR5 (Kd = 1.2 μM; IC50 = 2 μM), inducing DR5 clustering, which leads to the initiation of FADD/caspase-8-dependent apoptosis in various cancer cells.
공급사77 곳
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]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]
上海波以尔化工有限公司[email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
Advanced chemblocks inc650-6922368 650-6922368;650-6922368 · [email protected]
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