Simvastatin 辛伐他汀

CAS 79902-63-9 MFCD00072007

化学结构图

79902-63-9
SMILES: CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21

化学属性

Mol. FormulaC25H38O5
Mol. Weight418.57
Melting Point132.0 to 137.0 deg-C

别名和识别编码

Chemical NameSimvastatin
CAS Number79902-63-9
Synonym ######## L 644128-000U MK-0733 Simvastatin Zocor
MDL NumberMFCD00072007
PubChem Substance ID87558834
Reaxys-RN4768037
Merck Number8539
Chemical Name Translation辛伐他汀
Beilstein Registry Number4768037
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分类

  • {SNA} Approved Therapeutics/Drug Candidates,
  • Inhibitors
  • {SNA} Approved Therapeutics/Drug Candidates, Arachidonic Acid Cascade, Bioactive Small Molecule Alphabetical Index, Enzyme Inhibitors, Fluorination Ready Pharma-Developed Compounds, Lipids in Cell Signaling, Merck, Other, S, 生物活性小分子, 甲羟戊酸途径中的抑制剂和激活剂, 癌症中的甲羟戊酸途径, 癌症代谢, 癌症研究, 细胞信号转导和神经科学, 细胞生物学
  • Chiral Reagents
  • Heterocycles
  • {SNA} Approved Therapeutics/Drug Candidates, Arachidonic Acid Cascade, Bioactive Small Molecules, Cancer Metabolism,
  • {SNA} Analytical Standards, EP Standards, EP Standards S - T, Pharmacopeia & Metrological Institutes Standards, 分析/色谱
  • {SNA} Approved Therapeutics/D

产品应用

  • Simvastatin is a synthetic derivate of a fermentation product of Aspergillus terreus. A competitive inhibitor of HMG-CoA reductase. A synthetic analog of Lovastatin. Antilipemic. Simvastatin, the drug

相关文献及参考

  • [10]. Zhang H, et al. Advances in the discovery of exosome inhibitors in cancer. J Enzyme Inhib Med Chem. 2020;35(1):1322-1330.
  • [2]. Kureishi, Y., et al. The HMG-CoA reductase inhibitor simvastatin activates the protein kinase Akt and promotes angiogenesis in normocholesterolemic animals. Nat Med, 2000. 6(9): p. 1004-10.
  • [3]. Leung BP, et al. A novel anti-inflammatory role for simvastatin in inflammatory arthritis. J Immunol. 2003 Feb 1;170(3):1524-30.
  • [4]. Kobayashi M, et al. Preventive effect of MK-733 (simvastatin), an inhibitor of HMG-CoA reductase, on hypercholesterolemia and atherosclerosis induced by cholesterol feeding in rabbits. Jpn J Pharmacol. 1989 Jan;49(1):125-33.
  • [5]. Ishida F, et al. Comparative effects of simvastatin (MK-733) and CS-514 on hypercholesterolemia induced by cholesterol feeding in rabbits. Biochim Biophys Acta. 1990 Feb 23;1042(3):365-73.
  • [6]. Sukhova GK, et al. Statins reduce inflammation in atherom

安全信息

RTECSEK7798000
WGK Germany2
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Signal word
Hazard statements
  • H303 May be harmfully swallowed 吞食可能有害
Precautionary statements
  • 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。
Packing GroupIII
GHS Symbol
Safety Statements
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 3 gm/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Behavioral - somnolence (general depressed activity)
   Gastrointestinal - other changes
REFERENCE :
   OYYAA2 Oyo Yakuri.  Pharmacometrics.  (Oyo Yakuri Kenkyukai, CPO Box 180,
   Sendai 980-91, Japan) V.1-    1967-  Volume(issue)/page/year: 39,95,1990

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - woman
DOSE/DURATION           : 108 mg/kg/77W-I
TOXIC EFFECTS :
   Behavioral - muscle weakness
   Lungs, Thorax, or Respiration - acute pulmonary edema
   Skin and Appendages - dermatitis, other (after systemic exposure)
REFERENCE :
   ANZJB8 Australian and New Zealand Journal of Medicine.  (Modern Medicine of
   Australia Pty., Ltd., 100 Pacific Highway, North Sydney, 2060, Australia)
   V.1-    1971-  Volume(issue)/page/year: 25,745,1995

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 4438 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Behavioral - somnolence (general depressed activity)
   Gastrointestinal - other changes
REFERENCE :
   OYYAA2 Oyo Yakuri.  Pharmacometrics.  (Oyo Yakuri Kenkyukai, CPO Box 180,
   Sendai 980-91, Japan) V.1-    1967-  Volume(issue)/page/year: 39,95,1990

TYPE OF TES

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1009 mg/kg
TOXIC EFFECTS :
   Behavioral - muscle contraction or spasticity
REFERENCE :
   OYYAA2 Oyo Yakuri.  P

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 480 mg/kg
SEX/DURATION            : female 6-17 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - behavioral
REFERENCE :
   OYYAA2 Oyo Yakuri.  Pharmacometrics.  (Oyo Yakuri Kenkyukai, CPO Box 180,
   Sendai 980-91, Japan) V.1-    1967-  Volume(issue)/page/year: 39,143,1990

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 350 mg/kg
SEX/DURATION            : female 15-21 day(s) after conception
                          lactating female 21 day(s) post-birth
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight
   gain)
REFERENCE :
   OYYAA2 Oyo Yakuri.  Pharmacometrics.  (Oyo Yakuri Kenkyukai, CPO Box 180,
   Sendai 980-91, Japan) V.1-    1967-  Volume(issue)/page/year: 39,169,1990

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 300 mg/kg
SEX/DURATION            : female 6-17 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
REFERENCE :
   OYYAA2 Oyo Yakuri.  Pharmacometrics.  (Oyo Yakuri Kenkyukai, CPO Box 180,
   Sendai 980-91, Japan) V.1-    1967-  Volume(issue)/page/year: 39,143,1990

系列性分类


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