Embelin 2,5-二羟基-3-十一烷基环己烷-2,5-二烯-1,4-二酮

CAS 550-24-3 MFCD00016369

化学结构图

550-24-3
SMILES: CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O

化学属性

Mol. FormulaC₁₇H₂₆O₄
Mol. Weight294.39
Melting Point142-145°C
Density1.131
TSCANo
Appearance Solid powder
SolubilitySoluble to 10 mM in ethanol with gentle warming and to 100 mM in DMSO, not soluble in water
Boiling Point
Flash Point-

别名和识别编码

Chemical NameEmbelin
MDL Number-
CAS Number550-24-3
Synonym 2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3-undecyl- 2,5-Dihydroxy-3-undecyl-1,4-benzoquinone 2,5-Dihydroxy-3-undecyl-1,4-benzoquinone; Embelic acid; Emberine; NSC 91874 2,5-Dihydroxy-3-undecyl-2,5-cyclohexadiene-1,4-dione Apoptosis Activator III Embelic acid Embelin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID3218
EC Number208-979-8
Merck Number14,3555
Chemical Name Translation2,5-二羟基-3-十一烷基环己烷-2,5-二烯-1,4-二酮
Wiswesser Line NotationL6V DVJ BQ C11 EQ
Beilstein Registry Number1885786
LabNetwork Molecule IDLN00197347
InChIInChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3
FormulaC17H26O4
IUPAC Name2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione
InChIKeyIRSFLDGTOHBADP-UHFFFAOYSA-N
Canonical SMILES-
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分类

  • {SNA} A - K, Antibacterial, Antibiotics, Antibiotics A to Z, Antibiotics A-F, Antibiotics by Application, Antineoplastic and Immunosuppressive Antibiotics, Antiparasitic / Antiprotozoal / Anthelminthic, Bioactive Small Molecules, Cell Biology, E, Spectrum of Activity
  • {SNA} A - K, Antibacterial, Antibiotics A to Z, Antibiotics A-F, Antibiotics by Application, Antineoplastic and Immunosuppressive Antibiotics, Antiparasitic / Antiprotozoal / Anthelminthic, Bioactive Small Molecule Alphabetical Index, E, Spectrum of Activity, 抗生素, 生化试剂, 生物活性小分

产品应用

  • Embelin is the only known non-peptide small-molecule X-linked inhibitor of the apoptosis protein (XIAP) - an anti-apoptotic protein considered a promising cancer therapeutic target. Embelin acts as an NF-κB blocker and potential suppressor of tumorigenesis. It also exhibits potent cytotoxic, antioxidant and cancer chemopreventive effects. Given the potential uses of embelin, it is recommended that further investigations take place to properly explore its pharmacological and clinical effects.

安全信息

WGK Germany3
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
RTECSDK4230000
Storage condition -20 -20°C -20°C, Light sensitive, Light sensitive Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years). Light Sensitive 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Mammal - species unspecified
DOSE/DURATION           : 44 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   IJPPAZ Indian Journal of Physiology and Pharmacology.  (All India Institute
   of Medical Sciences, Dept. of Physiology, Ansari Nagar, New Delhi 110 029,
   India)  V.1-    1957-  Volume(issue)/page/year: 21,31,1977

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 50 mg/kg
SEX/DURATION            : female 1-5 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - pre-implantation mortality (e.g. reduction in
   number of implants per female; total number of implants per corpora lutea)
REFERENCE :
   JRIHDC Journal of Research in Indian Medicine Yoga and Homoeopathy. (Banaras
   Hindu Univ., Varanasi-5, India)  V.11-    1976- Volume(issue)/page/year:
   11(4),84,1976

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 250 mg/kg
SEX/DURATION            : female 1-5 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - pre-implantation mortality (e.g. reduction in
   number of implants per female; total number of implants per corpora lutea)
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
REFERENCE :
   IJEBA6 Indian Journal of Experimental Biology.  (Publications & Information
   Directorate, CSIR, Hillside Rd., New Delhi 110 012, India)  V.1-    1963-
   Volume(issue)/page/year: 18,1359,1980

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 300 mg/kg
SEX/DURATION            : male 15 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Paternal Effects - spermatogenesis (incl. genetic material,
   sperm morphology, motility, and count)
REFERENCE :
   CCPTAY Contraception.  (Geron-X, Inc., POB 1108, Los Altos, CA 94022)  V.1-
   1970-  Volume(issue)/page/year: 39,307,1989

系列性分类

  1. Life Science 生命科学
  2. Antibiotics 抗生素
  3. Antibiotics A to Z - Antibiotics
  4. Antibiotics A-F - Antibiotics A to Z
  1. Life Science 生命科学
  2. Antibiotics 抗生素
  3. Spectrum of Activity - Antibiotics
  4. Antiparasitic / Antiprotozoal / Anthelminthic - Spectrum of Activity
  1. Life Science 生命科学
  2. Cell Biology 细胞生物学
  3. Bioactive Small Molecules - Cell Biology
  4. E - Bioactive Small Molecules
  1. Life Science 生命科学
  2. Antibiotics 抗生素
  3. Spectrum of Activity - Antibiotics
  4. Antibacterial - Spectrum of Activity
  5. A - K - Antibacterial
  1. Medical Research Areas
  2. NF-kB
  3. NF-κB

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