Dicoumarol 双香豆素

CAS 66-76-2 MFCD00006857

化学结构图

66-76-2
SMILES: OC1=C(CC2C(=O)OC3C=CC=CC=3C=2O)C(=O)OC2C=CC=CC1=2

化学属性

Mol. FormulaC19H12O6
Mol. Weight336
Melting Point290-292 °C(lit.)
TSCAYes
Solubility溶于碱、吡啶，微溶于氯仿、苯，不溶于水、醇、醚。

别名和识别编码

Chemical NameDicoumarol
Synonym 2H-1-Benzopyran-2-one, 3,3'-methylenebis(4-hydroxy- 2H-1-Benzopyran-2-one, 3,3'-methylenebis[4-hydroxy- 3,3& 3,3'-Methylenbis(4-hydroxy-2H-1-benzopyran-2-on) 3,3'-Methylenbis(4-hydroxycumarin) 3,3'-Methylenebis(4-hydroxycoumarin) 3,3'-Methylenebis[4-hydroxycoumarin] 3,3' 3,3'-METHY 3,3'-Me 3,3'-Methyleen-bis(4-hydroxy-cumarine) 3,3'-Methylenebis(4-hydroxy-2H-1-benzopyran-2-one) 3,3'-亚甲基双(4-羟基馥素) 3,3ˊ-亚甲基双(4-羟基香豆素) 3,3’-methyleen-bis(4-hydroxy-cumarine) 3,3’-methylen-bis(4-hydroxy-cumarin) 3,3’-methylene 3,3’-methylene-bis(4-hydr 3,3’-methylenebis(4-hydroxy-coumari 3,3’-methylenebis[4-hydroxy-2h-1-benzopyran-2-on 3,3’-metilen-bis(4-idrossi-cumarina) 4,4'-dihydroxy-3,3'-methanediyl-bis-chromen-2-one 4,4'-dihydroxy-3,3'-methylenebis(2H-chromen-2-one) Ac Acadyl Antitrombosin BHC BIS-HYDROXY BISCUMAROL Bis(4-hydroxycoumarin-3-yl)methane Bis-3,3'-(4-hydroxycoumarinyl)methane Bishyd Bishydroxycou Bishydroxycoumarin Coumarin, 3,3'-methylenebis[4-hydroxy- Cumid Di-(4-hydroxy-3-coumarinyl)methane Di-4-hydr Dicoumal Dicoumarol Dicumarol Dicuman Dicumaol R Dicumari Dicumarine Dicumol Trombosan {} {} {Chem {} {} {} {} {C {} {} {} {} {} {Chem {} {} {} {} {} {Chemicalb {} {} {} {} {} {SNA} 丁香素 双羟香豆素
MDL NumberMFCD00006857
CAS Number66-76-2
EC Number200-632-9
PubChem Substance ID87572306
Merck Number3090
Chemical Name Translation双香豆素
Wiswesser Line NotationT66 BOVJ EQ D1- DT66 BOVJ EQ
Beilstein Registry Number19,197
LabNetwork Molecule IDLN00878659
Reaxys-RN335444
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分类

  • {SNA} Enzyme Inhibitors, Enzyme Inhibitors by Enzyme, L to O, NQO1 (DT-Diaphorase), Natural Dyes, Stains and Dyes, 生化试剂, 细胞生物学, 血液学和组织学, 酶、抑制剂和底物
  • {SNA} Bioactive Small Molecules, Cell Biology, Hematology and Histology, M, Natural Dyes, Stains and Dyes
  • {SNA} Bioactive Small Molecules, Hematology and Histology, M, Natural Dyes, Stains and Dyes, 细胞生物学
  • {SNA} Natural Dyes, Stains and Dyes, 细胞生物学, 血液学和组织学
  • {uni_hamburg} no charge; oxygen heterocycle; carbocycle; aromatic; large ring; fuse

相关文献及参考

  • [2]. Zhang W, et al. Dicumarol inhibits PDK1 and targets multiple malignant behaviors of ovarian cancer cells. PLoS One. 2017 Jun 15;12(6):e0179672.
  • [3]. Fiorillo M, et al. Mitochondrial "power" drives tamoxifen resistance: NQO1 and GCLC are new therapeutic targets in breast cancer. Oncotarget. 2017 Mar 2;8(12):20309-20327.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15
  • Short: III/5b Title: Structure Data of Organic Crystals: C 14 ... C 120 Author: Schudt, E.; Weitz, G. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/5b Year: 1971 ISBN: 3-540-05177-5 ISBN: 978-3-540-05177-0 Internet Resource: DOI:10.1007/b19970 RefComment: XXI, 736 pages, and VII, 890 pages. Ha

安全信息

WGK Germany3
RTECSGN7875000
GHS Symbol
Precautionary statements
  • P314 Get medical advice/attention if you feel unwell. 获取医疗咨询/就医，如果你觉得不舒服
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P301+P310+P330
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P405 Store locked up. 上锁保管。
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P308+P311
  • 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。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
  • H372 Causes damage to organs through prolonged or repeated exposure 长期或频繁接触会损伤器官
  • H302 Harmful if swallowed 吞食有害
Signal word Danger
Personal Protective Equipment Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Hazard Codes T,N
Safety Statements
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
  • S37 Wear suitable gloves 戴适当手套；
Risk Statements
  • R51/53
  • R48/25
  • R22 Harmful if swallowed 吞咽有害
Packing GroupIII
UN Number UN 2811 6.1/PG 3 UN2811 2811 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 91 mg/kg
TOXIC EFFECTS :
   Cardiac - other changes
   Vascular - pulse pressure increase
REFERENCE :
   DIPHAH Dissertationes Pharmaceuticae.  (Warsaw, Poland)  V.1-17, 1949-65.
   For publisher information, see PJPPAA.  Volume(issue)/page/year: 17,163,1965

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : 40 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   27ZIAQ "Drug Dosages in Laboratory Animals - A Handbook," Rev. ed., Barnes,
   C.D., and L.G. Eltherington, Berkeley, Univ. of California Press, 1973
   Volume(issue)/page/year: -,57,1973

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 59 mg/kg
TOXIC EFFECTS :
   Sense Organs and Special Senses (Olfaction) - ulcerated nasal septum
   Gastrointestinal - ulceration or bleeding from large intestine
REFERENCE :
   PSEBAA Proceedings of the Society for Experimental Biology and Medicine.
   (Academic Press, Inc., 1 E. First St., Duluth, MN 55802)  V.1-    1903/04-
   Volume(issue)/page/year: 50,228,1942

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TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 233 mg/kg
TOXIC EFFECTS :
   Sense Organs and Special Senses (Olfaction) - ulcerated nasal septum
   Gastrointestinal - ulceration or bleeding from large intestine
REFERENCE :
   PSEBAA Proceedings of the Society for Experimental Biology and Medicine.
   (Academic Press, Inc., 1 E. First St., Duluth, MN 5

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - woman
DOSE                    : 110 mg/kg
SEX/DURATION            : female 31-40 week(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetal death
   Reproductive - Effects on Newborn - stillbirth
   Reproductive - Effects on Newborn - other neonatal measures or effects
REFERENCE :
   AJOGAH American Journal of Obstetrics and Gynecology.  (C.V. Mosby Co.,
   11830 Westline Industrial Dr., St. Louis, MO 63146)  V.1-    1920-
   Volume(issue)/page/year: 57,965,1949

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Human - woman
DOSE                    : 28 mg/kg
SEX/DURATION            : female 28-30 week(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetal death
   Reproductive - Specific Developmental Abnormalities - other developmental
   abnormalities
REFERENCE :
   AJOGAH American Journal of Obstetrics and Gynecology.  (C.V. Mosby Co.,
   11830 Westline Industrial Dr., St. Louis, MO 63146)  V.1-    1920-
   Volume(issue)/page/year: 77,1135,1959

Hazard Class6.1

其他信息

  • 外观性质:白色或浅黄色粉末，味苦带臭味。
  • RTECS号:GN7875000
  • 双羟香豆素价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M0216 双香豆素 Dicoumarol 1G 155元 2011/04/16 M0216 双香豆素 Dicoumarol 25G 727元 2010/06/21 204120050 双羟香豆素 Dicumarol 99% 5 GR 416元
  • 图谱信息:双羟香豆素(66-76-2)质谱(MS)
  • PackingGroup:III
  • HazardClass:6.1(b)
  • MOL 文件:66-76-2.mol

系列性分类

  1. Life Science 生命科学
  2. Cell Biology 细胞生物学
  3. Bioactive Small Molecules - Cell Biology
  4. M - Bioactive Small Molecules
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Biochemicals and Reagents
  4. Stains and Dyes
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Hemotology and Histology
  4. Stains and Dyes
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Hematology and Histology
  4. Stains and Dyes
  5. Certified Stains & Dyes
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Biochemicals and Reagents
  4. Stains and Dyes
  5. Natural Dyes
  1. Medical Research Areas
  2. Metabolism
  3. PDHK  (丙酮酸脱氢酶激酶)

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