Captopril 卡托普利

CAS 62571-86-2 MFCD00168073

化学结构图

62571-86-2
SMILES: C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O

化学属性

Mol. FormulaC9H15NO3S
Mol. Weight217
Melting Point104-108
Density1.422

别名和识别编码

Chemical NameCaptopril
CAS Number62571-86-2
Synonym SA 333 D-3-Mercapto-2-methylpropanoyl-L-proline D-3-Mercapto-2-methylpropionylproline L-Captopril 1-(D-3-Mercapto-2-methyl-1-oxopropyl)-L-proline (S,S) Captopril (S)-(-)-1-(3-Mercapto-2-methyl-1-oxopropyl)-L-proline
PubChem Substance ID87566575
EC Number263-607-1
Beilstein Registry Number477887
MDL NumberMFCD00168073
Reaxys-RN477887
Merck Number1774
Alfabeta NameCAPTOPRIL
Chemical Name Translation卡托普利
Wiswesser Line NotationT5NTJ AVY1&1SH BVQ
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分类

  • {SNA} A to C, Angiotensin Converting Enzyme, Angiotensin Metabolism, Approved Therapeutics/Drug Candidates, Bioactive Small Molecule Alphabetical Index, Bristol-Myers Squibb, C-CH, Enzyme Inhibitors, Enzyme Inhibitors by Enzyme, Neuropeptides, Peptides and Proteins, Peptides for Cell Biology, Protease Inhibitor Specificity Index, Protease Inhibitors, 生化试剂, 生物活性小分子, 细胞信号转导和神经科学, 细胞生物学, 酶、抑制剂和底物
  • {SNA} A to C, Angiotensin Converting Enzyme, Core Bioreagents, Enzyme Inhibitors, Enzyme Inhibitors by Enzyme,

产品应用

  • Orally active angiotensin-converting enzyme (ACE) inhibitor.

相关文献及参考

  • [2]. Esmaeili S, et al. Captopril/enalapril inhibit promiscuous esterase activity of carbonic anhydrase at micromolar concentrations: An in vitro study. Chem Biol Interact. 2017;265:24-35.
  • [3]. Li N, et al. Simplified captopril analogues as NDM-1 inhibitors. Bioorg Med Chem Lett. 2014;24(1):386-389.
  • [4]. Tzakos, A.G., et al., The molecular basis for the selection of captopril cis and trans conformations by angiotensin I converting enzyme. Bioorg Med Chem Lett, 2006. 16(19): p. 5084-7.
  • [5]. Song, J.C. and C.M. White, Clinical pharmacokinetics and selective pharmacodynamics of new angiotensin converting enzyme inhibitors: an update. Clin Pharmacokinet, 2002. 41(3): p. 207-24.
  • Gavras, H., and Brunner, H.R., Role of angiotensin and its inhibition in hypertension, ischemic heart disease, and heart failure. Curr. Hypertens. Rep. 37 , 342-345, (2001) 摘要
  • Greene, A.S., and Amaral, S.L., Microvascular angiogenesis and the renin-angiotensin sy

安全信息

GHS Symbol
WGK Germany3
Hazard Codes Xn
Hazard statements
  • H361 Suspected of damaging fertility or the unborn child 怀疑对生育能力或未出生婴儿造成伤害
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H303 May be harmfully swallowed 吞食可能有害
Personal Protective Equipment Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
RTECSUY0550000
Precautionary statements
  • 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。
Signal word
Warnings IRRITANT
Safety Statements
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R63 Possible risk of harm to the unborn child 可能危害未出生婴儿
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED

{haz

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - man
DOSE/DURATION           : 16 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JTCTDW Journal of Toxicology, Clinical Toxicology.  (Marcel Dekker, 270
   Madison Ave., New York, NY 10016)  V.19-    1982-  Volume(issue)/page/year:
   28,379,1990

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >2400 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   YAKUD5 Gekkan Yakuji.  Pharmaceuticals Monthly.  (Yakugyo Jihosha, Inaoka
   Bldg., 2-36 Jinbo-cho, Kanda, Chiyoda-ku, Tokyo 101, Japan)  V.1-   1959-
   Volume(issue)/page/year: 24,2439,1982

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - man
DOSE/DURATION           : 4 mg/kg/8D-I
TOXIC EFFECTS :
   Behavioral - toxic psychosis
REFERENCE :
   AJPSAO American Journal of Psychiatry.  (American Psychiatric Assoc.,
   Circulation Dept., 1400 K St., NW, Washington, DC 20005)  V.78-    1921-
   Volume(issue)/page/year: 142,270,1985

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - man
DOSE/DURATION           : 2679 ug/kg/5D-I
TOXIC EFFECTS :
   Kidney, Ureter, Bladder - changes in tubules (including acute renal failure,
   acute tubular necrosis)
REFERENCE :
   IJMDAI Israel Journal of Medical Sciences.  (POB 1435, Jerusalem 91013,
   Israel)  V.1-    1965-  Volume(issue)/page/year: 21,892,1985

{haza

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - man
DOSE                    : 228 mg/kg
SEX/DURATION            : male 43 week(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Paternal Effects - breast development
REFERENCE :
   BMJOAE British Medical Journal.  (British Medical Assoc., BMA House,
   Tavistock Sq., London WC1H 9JR, UK)  V.1-    1857- Volume(issue)/page/year:
   296,1262,1988

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE                    : 40 mg/kg
SEX/DURATION            : female 15-30 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetal death
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: 170,378,1982

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE                    : 8250 ug/kg
SEX/DURATION            : female 24-28 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - other measures of fertility
   Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
   LANCAO Lancet.  (7 Adam St., London WC2N 6AD, UK)  V.1-    1823-
   Volume(issue)/page/year: 1,1256,1980

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 100 mg/kg
SEX/DURATION            : female 6-15 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-i

系列性分类

  1. Life Science 生命科学
  2. Biochemicals and Reagents 生化试剂
  3. Enzymes, Inhibitors, and Substrates - Biochemicals and Reagents
  4. Enzyme Inhibitors - Enzymes, Inhibitors, and Substrates
  5. Enzyme Inhibitors by Type - Enzyme Inhibitors
  6. Substrate Analogs - Enzyme Inhibitors by Type
  1. Life Science 生命科学
  2. Biochemicals and Reagents 生化试剂
  3. Enzymes, Inhibitors, and Substrates - Biochemicals and Reagents
  4. Enzyme Inhibitors - Enzymes, Inhibitors, and Substrates
  5. Enzyme Inhibitors by Enzyme - Enzyme Inhibitors
  6. A to C - Enzyme Inhibitors by Enzyme
  7. Angiotensin Converting Enzyme - A to C
  1. Functional Group 官能团索引
  2. alkylthiol
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Dry Powder Media
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Cell Signaling and Neuroscience
  4. Peptides and Proteins
  5. Neuropeptides
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Peptides
  4. Peptides for Cell Biology
  5. Neuropeptides
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Enzymes, Inhibitors, and Substrates
  4. Enzyme Inhibitors
  5. Enzyme Inhibitors by Type
  6. Other
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Cell Signaling and Neuroscience
  4. Neuroscience
  5. Neurotransmission
  6. Neuropeptides
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Cell Signaling and Neuroscience
  4. Peptides and Proteins
  5. Peptides for Cell Biology
  6. Neuropeptides
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Enzymes, Inhibitors, and Substrates
  4. Enzyme Inhibitors
  5. Enzyme Inhibitors by Enzyme
  6. Aminotransferases
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Enzymes, Inhibitors, and Substrates
  4. Enzyme Inhibitors
  5. Protease Inhibitors
  6. Broad Spectrum Inhibitors of Proteolytic Enzyme Classes
  7. Serine Protease Inhibitors
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Enzymes, Inhibitors, and Substrates
  4. Proteolytic Enzymes and Substrates
  5. Protease Inhibitors
  6. Broad Spectrum Inhibitors of Proteolytic Enzyme Classes
  7. Serine Protease Inhibitors
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Cell Signaling and Neuroscience
  4. Signal Transduction Research Tools
  5. Protease Inhibitors
  6. Broad Spectrum Inhibitors of Proteolytic Enzyme Classes
  7. Serine Protease Inhibitors
  1. Medical Research Areas
  2. Metabolism
  3. Angiotensin-converting Enzyme (ACE)  (血管紧张素转换酶)

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