(4S,4Ar,5S,5Ar,6R,12As)-4-(Dimethylamino)-3,5,10,12,12A-Pentahydroxy-6-Methyl-1,11-Dioxo-1,4,4A,5,5A,6,11,12A-Octahydrotetracene-2-Carboxamide (4S,4aR,5S,5aR,6R,12aS)-4-(二甲氨基)-3,5,10,12,12a-五羟基-6-甲基-1,11-二氧代-1,4,4a,5,5a,6,11,12a-八氢并四苯-2-甲酰胺

CAS 564-25-0 MFCD00564250

化学结构图

564-25-0
SMILES: C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21

化学属性

Mol. Formula-
Mol. Weight-

别名和识别编码

Chemical Name(4S,4Ar,5S,5Ar,6R,12As)-4-(Dimethylamino)-3,5,10,12,12A-Pentahydroxy-6-Methyl-1,11-Dioxo-1,4,4A,5,5A,6,11,12A-Octahydrotetracene-2-Carboxamide
Chemical Name Translation(4S,4aR,5S,5aR,6R,12aS)-4-(二甲氨基)-3,5,10,12,12a-五羟基-6-甲基-1,11-二氧代-1,4,4a,5,5a,6,11,12a-八氢并四苯-2-甲酰胺
Chemicalbook IDCB8663342
Wiswesser Line NotationL E6 C666 BV FV CU GUTTT&J DQ GVZ HQ IN1&1 KQ MQ M1RQ
Synonym 5-Hydroxy-alpha-6-deoxytetracycline 6-alpha-Deoxy-5-oxytetracycline Doxiciclina Doxycycline Doxycycline 1000 µg/mL in Acetonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
CAS Number564-25-0
LabNetwork Molecule IDLN01345048
Canonical SMILESO=C(C(C1=O)=C(O)[C@@H](N(C)C)[C@]2([H])[C@@H](O)[C@]3([H])[C@@H](C)C4=C(C(C3=C(O)[C@@]21O)=O)C(O)=CC=C4)N
MDL NumberMFCD00800994
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相关文献及参考

  • [2]. Luger AL, et al. Doxycycline Impairs Mitochondrial Function and Protects Human Glioma Cells from Hypoxia-Induced Cell Death: Implications of Using Tet-Inducible Systems. Int J Mol Sci. 2018 May 17;19(5).
  • [3]. Eusebio Manchado, et al. A combinatorial strategy for treating KRAS-mutant lung cancer. Nature. 2016 Jun 30;534(7609):647-51.
  • [1]. Briest W, et al. Doxycycline ameliorates the susceptibility to aortic lesions in a mouse model for the vascular type of Ehlers-Danlos syndrome. J Pharmacol Exp Ther. 2011 Jun;337(3):621-7.
  • [1]. Briest W, et al. Doxycycline ameliorates the susceptibility to aortic lesions in a mouse model for the vascular type of Ehlers-Danlos syndrome. J Pharmacol Exp Ther. 2011 Jun;337(3):621-7.
  • [2]. Luger AL, et al. Doxycycline Impairs Mitochondrial Function and Protects Human Glioma Cells from Hypoxia-Induced Cell Death: Implications of Using Tet-Inducible Systems. Int J Mol Sci. 2018 May 17;19(5).
  • [3]. Eusebio

安全信息

RTECSQI8650000 
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - woman
DOSE/DURATION           : 68 mg/kg/24D-I
TOXIC EFFECTS :
   Musculoskeletal - joints
   Immunological Including Allergic - other immediate (humoral): urticaria,
   allergic rhinitis, serum sickness
   Nutritional and Gross Metabolic - body temperature increase
REFERENCE :
   PGMJAO Postgraduate Medical Journal.  (Blackwell Scientific Pub. Ltd., POB
   88, Oxford, UK) V.1-    1925-  Volume(issue)/page/year: 67,313,1991

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 228 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PBPSDY Pharmacological and Biochemical Properties of Drug Substances.
   (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC
   20037)  V.1-    1977-  Volume(issue)/page/year: 2,305,1979

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1870 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GICTAL Giornale Italiano di Chemioterapia.  Italian Journal of Chemotherapy.
    (Edizioni Minerva Medica, Casella P

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >2 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PBPSDY Pharmacological and Biochemical Properties of Drug Substances.
   (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC
   20037)  V.1-    1977-  Volume(issue)/page/year: 2,305,1979

TYPE OF TEST            : DNA inhibition
TEST SYSTEM             : Human Lymphocyte
DOSE/DURATION           : 3750 ug/L
REFERENCE :
   BCPHBM British Journal of Clinical Pharmacology.  (Blackwell Scientific Pub.
   Ltd., POB 88, Oxford, UK)  V.1-    1974-  Volume(issue)/page/year:
   16,127,1983

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 750 mg/kg
SEX/DURATION            : female 2 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 36,219,1986

Storage condition 2-8°C, stored under argon

系列性分类

  1. Medical Research Areas
  2. Metabolism
  3. MMP  (基质金属蛋白酶)

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