(S)-2-Amino-3-(3,4-Dihydroxyphenyl)-2-Methylpropanoic Acid (S)-2-氨基-3-(3,4-二羟基苯基)-2-甲基丙酸

CAS 555-30-6 MFCD00004186

化学结构图

555-30-6
SMILES: CC(N)(Cc1ccc(O)c(O)c1)C(=O)O

化学属性

Mol. FormulaC10H13NO4
Mol. Weight211.21
Melting Point300°C
Appearance 白色结晶性粉末。易溶于稀盐酸,在25℃水中的溶解度约10mg/ml,饱和水溶液的pH值为5左右。微溶于乙醇,不溶于乙醚和氯仿。
Refractive index-14 ° (C=1, H2O)
SolubilityDMSO <1 mg/mL Water <1 mg/mL Ethanol <1 mg/mL
Density1.403
Boiling Point436.3°C at 760mmHg

别名和识别编码

Chemical Name(S)-2-Amino-3-(3,4-Dihydroxyphenyl)-2-Methylpropanoic Acid
CAS Number555-30-6
Reaxys-RN2807721
PubChem Substance ID38853
MDL NumberMFCD00004186
Merck Number6055
Synonym Methyldopa {LY} Methyldopa {} {LY} Methyldopa {} {} {LY} Methyldopa {} {} {} {LY} Methyldopa {} {} {} {} {LY} Methyldopa {} {} {} {} {} {LY} Methyldopa {} {} {} {} {} {} {LY} Methyldopa {} {} {} {} {} {} {} {LY} Methyldopa {} {} {} {} {} {} {} {} {LY} Methyldopa {} {} {} {} {} {} {} {} {} {LY} Methyldopa {} {} {} {} {} {} {} {} {} {} {LY} Methyldopa {} {} {} {} {} {} {} {} {} {} {} {LY} Methyldopa {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyldopa {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyldopa {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyldopa {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyldopa {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyldopa {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyldopa {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyldopa
Beilstein Registry Number2807721
EC Number209-089-2
Chemical Name Translation(S)-2-氨基-3-(3,4-二羟基苯基)-2-甲基丙酸
Wiswesser Line NotationQVXZ1&1R CQ DQ
LabNetwork Molecule IDLN00238713
InChIInChI=1S/C10H13NO4/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,11H2,1H3,(H,14,15)/t10-/m0/s1
Canonical SMILESOC1=C(O)C=CC(C[C@@](C)(C(O)=O)N)=C1
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相关文献及参考

  • [2]. Fox GR, et al. The effects of phenobarbital, atropine, L-alpha-methyldopa, and DL-propranolol on dieldrin-induced hyperglycemia in the adult rat. Toxicol Appl Pharmacol. 1985;78(3):342-350.
  • [1]. Sweet CS. New centrally acting antihypertensive drugs related to methyldopa and clonidine. Hypertension. 1984;6(5 Pt 2):II51-II56.
  • [1]. Sweet CS. New centrally acting antihypertensive drugs related to methyldopa and clonidine. Hypertension. 1984;6(5 Pt 2):II51-II56.
  • [2]. Fox GR, et al. The effects of phenobarbital, atropine, L-alpha-methyldopa, and DL-propranolol on dieldrin-induced hyperglycemia in the adult rat. Toxicol Appl Pharmacol. 1985;78(3):342-350.

安全信息

RTECSAY5950000
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。
WGK Germany3
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - man
DOSE/DURATION           : 1071 mg/kg/22W-I
TOXIC EFFECTS :
   Skin and Appendages - dermatitis, allergic (after systemic exposure)
REFERENCE :
   CUTIBC CUTIS; Cutaneous Medicine for the Practitioner.  (Technical Pub., 875
   Third Ave., New York, NY NY 10022)    1965-  Volume(issue)/page/year:
   38,187,1986

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 300 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and
   D.H. Efron, Washington, DC, 1972  Volume(issue)/page/year: -,348,1972

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - woman
DOSE/DURATION           : 1830 mg/kg/17W-I
TOXIC EFFECTS :
   Peripheral Nerve and Sensation - fasciculations
   Behavioral - hallucinations, distorted perceptions
   Behavioral - tremor
REFERENCE :
   SAMJAF South African Medical Journal.  (Medical Assoc. of South Africa,
   Secy., P.O. Box 643, Cape Town, S. Africa)  V.6-    1932-
   Volume(issue)/page/year: 65,194,1984

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - woman
DOSE/DURATION           : 44 gm/kg/3Y-I
TOXIC EFFECTS :
   Gastrointestinal - necrotic changes
REFERENCE :
   AHJOA2 American Heart Journal.  (C.V. Mosby Co., 11830 Westline Industrial
   Dr., St. Louis, MO 63146) V.1-    1925-  Volume(issue)/page/year:
   105,1037,1983

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSER

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Human Lymphocyte
DOSE/DURATION           : 12500 ug/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 259,127,1991

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Lung
DOSE/DURATION           : 37 mg/L
REFERENCE :
   GMCRDC Gann Monograph on Cancer Research.  (Plenum Pub. Corp., 233 Spring
   St., New York, NY 10013) No. 11-    1971-  Volume(issue)/page/year:
   27,95,1981

TYPE OF TEST            : Dominant lethal test
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 960 mg/kg
REFERENCE :
   CYTBAI Cytobios. (Faculty Press, 88 Regent St., Cambridge, UK)  V.1- 1969- 
   Volume(issue)/page/year: 41,151,1984

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 7500 mg/kg
SEX/DURATION            : female 6-20 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Maternal Effects - parturition
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
   Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: PB86-245321

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 13 gm/kg
SEX/DURATION            : male 65 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Paternal Effects - spermatogenesis (incl. genetic material,
   sperm morphology, motility, and count)
   Reproductive - Paternal Effects - testes, epididymis, sperm duct
   Reproductive - Fertility - male fertility index (e.g. # males impregnating
   females per # males exposed to fertile nonpregnant females)
REFERENCE :
   TXCYAC Toxicology.  (Elsevier Scientific Pub. Ireland, Ltd., POB 85,
   Limerick, Ireland) V.1-    1973-  Volume(issue)/page/year: 41,305,1986

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 960 mg/kg
SEX/DURATION            : male 1 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured
   before birth)
REFERENCE :
   CYTBAI Cytobios. (Faculty Press, 88 Regent St., Cambridge, UK)  V.1- 1969- 
   Volume(issue)/page/year: 41,151,1984

TYPE OF TEST            : TDLo - Lowest publis

GHS Symbol
Safety Statements

其他信息

  • 用途一:左旋甲基多巴是一种B-受体阻滞型心血管药物,对中等程序的原发性和肾性高血压有良好疗效。
  • 甲基多巴价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D1817 3-(3,4-二羟基苯基)-2-甲基-L-丙氨酸 3-(3,4-Dihydroxyphenyl)-2-methyl-L-alanine 5G 728元 2014/06/02 D1817 3-(3,4-二羟基苯基)-2-甲基-L-丙氨酸 3-(3,4-Dihydroxyphenyl)-2-methyl-L-alanine 25G 2020元
  • MSDS 信息:2-Amino-3-(3,4-dihydroxyphenyl)-2-methyl-propanoic acid(555-30-6).msds
  • TCI Shanghai:3-(3,4-二羟基苯基)-2-甲基-L-丙氨酸 3-(3,4-Dihydroxyphenyl)-2-methyl-L-alanine,>;98.0%(T)(555-30-6)
  • F:10-23
  • 方法一:将香兰醛用硫酸二甲酯甲基化为藜芦醛,再与硝基乙烷缩合得到1-(2-硝基丙烯基)-3',4'-二甲氧基苯,用铁粉还原并经水解后生成3',4'-二甲氧基苯丙酮(见14945),然后经环合、开环、水解反应得到DL-甲基多巴,拆分出左旋物即得甲基多巴。
  • Sigma Aldrich:555-30-6(sigmaaldrich)
  • 用途二:该品为降压药。
  • 上游原料:硫酸二甲酯 --> 香兰素 --> 苯甲醚 --> 硝基乙烷 --> 藜芦醛 --> 3,4-二甲氧基苯丙酮 --> DL-甲基多巴
  • MOL 文件:555-30-6.mol

系列性分类


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