(3S,3′S,5aR,5′aR,10bR,10′bR,11aS,11′aS)-2,2′,3,3′,5a,5′a,6,6′-Octahydro-3,3′-bis(hydroxymethyl)-2,2′-dimethyl[10b,10′b(11H,11′H)-bi-3,11a-epidithio-11aH-pyrazino[1′,2′:1,5]pyrrolo[2,3-b]indole]-1,1′,4,4′-tetrone (3S,3′S,5aR,5′aR,10bR,10′bR,11aS,11′aS)-2,2′,3,3′,5a,5′a,6,6′-八氢-3,3′-双(羟甲基)-2,2′-二甲基[10b,10′b(11H,11′H)-双-3,11a-epidithio-11aH-吡嗪并[1′,2′:1,5]吡咯并[2,3-b]吲哚]-1,1′,4,4′-四酮

CAS 28097-03-2 MFCD00133163

化学结构图

28097-03-2
SMILES: CN1C(=O)C23CC4(C56CC78SSC(CO)(C(=O)N7C5Nc5ccccc56)N(C)C8=O)c5ccccc5NC4N2C(=O)C1(CO)SS3

化学属性

Mol. FormulaC30H28N6O6S4
Mol. Weight696.84

别名和识别编码

Chemical Name(3S,3′S,5aR,5′aR,10bR,10′bR,11aS,11′aS)-2,2′,3,3′,5a,5′a,6,6′-Octahydro-3,3′-bis(hydroxymethyl)-2,2′-dimethyl[10b,10′b(11H,11′H)-bi-3,11a-epidithio-11aH-pyrazino[1′,2′:1,5]pyrrolo[2,3-b]indole]-1,1′,4,4′-tetrone
MDL NumberMFCD00133163
PubChem Substance ID11657687
CAS Number28097-03-2
Synonym Chaetocin Chetocin chaetocin
Beilstein Registry Number5722505
Chemical Name Translation(3S,3′S,5aR,5′aR,10bR,10′bR,11aS,11′aS)-2,2′,3,3′,5a,5′a,6,6′-八氢-3,3′-双(羟甲基)-2,2′-二甲基[10b,10′b(11H,11′H)-双-3,11a-epidithio-11aH-吡嗪并[1′,2′:1,5]吡咯并[2,3-b]吲哚]-1,1′,4,4′-四酮
InChIKeyPZPPOCZWRGNKIR-UHFFFAOYSA-N
InChIInChI=1S/C30H28N6O6S4/c1-33-21(39)27-11-25(15-7-3-5-9-17(15)31-19(25)35(27)23(41)29(33,13-37)45-43-27)26-12-28-22(40)34(2)30(14-38,46-44-28)24(42)36(28)20(26)32-18-10-6-4-8-16(18)26/h3-10,19-20,31-32,37-38H,11-14H2,1-2H3/t19-,20-,25+,26+,27+,28+,29+,30+/m1/s1
LabNetwork Molecule IDLN01319330
信息真实价格透明    资金保障    专业采购外包团队在线服务   
信息真实价格透明    资金保障    专业采购外包团队在线服务   
品牌质保精细包装    现货库存    一流品牌服务   

分类

  • {SNA} Bioactive Small Molecules for Epigenetic Research, Histone Lysine Methyltransferase (HKMT) Inhibitors, Histone Methylation Modulators, 分子生物学, 表观遗传学
  • {SA} Bioactive Small Molecules, Bioactive Small Molecules for Epigenetic Research, C-CH, Cell Biology, Epigenetics, Histone Lysine Methyltransferase (HKMT) Inhibitors, Histone Methylation Modulators, Molecular Biology
  • Bioactive Small Molecules, Bioactive Small Molecules for Epigenetic Research, C-CH, Cell Biology, Epigenetics, Histone Lysine Methyltransferase (HKMT) Inhibitors, Histone Methylation Modulators, Molecular Biology

相关文献及参考

  • 1. Weber, H.P., et al. Acta Crystallogr. B 28 , 2945, (1972)
  • 2. Greiner, D., et al. Nature Chem. Biol. 1 , 143, (2005) 摘要
  • 3. Tibodeau, J.D., et al., The anticancer agent chaetocin is a competitive substrate and inhibitor of thioredoxin reductase Antioxid. Redox Signal. 11 , 1097-1106, (2009) 摘要
  • {uni_hamburg} Short: III/10b Title: Structure Data of Organic Crystals: C 16 ... C 168 Author: Schudt-Weitz, G.; Strell, I. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/10b Year: 1985 ISBN: 3-540-13932-X ISBN: 978-3-540-13932-4 Internet Resource: DOI:10.1007/b19985 RefComment: XIX,652 pages. Hardcover

安全信息

WGK Germany3
GHS Symbol
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P301+P312
  • P301+P312+P330
  • P302+P352
  • P304+P312
  • P304+P340
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P322 Specific measures (see …on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H332 Harmful if inhaled 吸入有害
Hazard Codes Xn
RTECSFM3032000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Risk Statements
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1700 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85GDA2 "CRC Handbook of Antibiotic Compounds," Vols.1- ,  Berdy, J., Boca
   Raton, FL, CRC Press, 1980-  Volume(issue)/page/year: 4(1),170,1980

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85GDA2 "CRC Handbook of Antibiotic Compounds," Vols.1- ,  Berdy, J., Boca
   Raton, FL, CRC Press, 1980-  Volume(issue)/page/year: 4(1),170,1980

系列性分类

  1. Life Science 生命科学
  2. Molecular Biology 分子生物学
  3. Epigenetics - Molecular Biology
  4. Bioactive Small Molecules for Epigenetic Research - Epigenetics
  5. Histone Methylation Modulators - Bioactive Small Molecules for Epigenetic Research
  6. Histone Lysine Methyltransferase (HKMT) Inhibitors - Histone Methylation Modulators

相关产品推荐