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28860-95-9 分子结构
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(2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid

ChemBase编号:75
分子式:C10H14N2O4
平均质量:226.22916
单一同位素质量:226.09535694
SMILES和InChIs

SMILES:
OC(=O)[C@@](NN)(Cc1cc(O)c(O)cc1)C
Canonical SMILES:
NN[C@](C(=O)O)(Cc1ccc(c(c1)O)O)C
InChI:
InChI=1S/C10H14N2O4/c1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4-6/h2-4,12-14H,5,11H2,1H3,(H,15,16)/t10-/m0/s1
InChIKey:
TZFNLOMSOLWIDK-JTQLQIEISA-N

引用这个纪录

CBID:75 http://www.chembase.cn/molecule-75.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
(2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid
IUPAC传统名
carbidopa
商标名
Atamet
HMD
Lodosin
Lodosyn
别名
Lodosyn
Alpha-Methyldopahydrazine
Carbidopa Anhydrous
Carbidopa Monohydrate
Carbidopum [INN-Latin]
N-Aminomethyldopa
C-DOPA
MK-486
Carbidopa
CAS号
28860-95-9
PubChem SID
160963538
PubChem CID
34359

数据来源

数据来源

所有数据来源 商品来源 非商品来源
数据来源 数据ID 价格
Selleck Chemicals
S1891 external link 加入购物车 请登录

理论计算性质

理论计算性质

JChem ALOGPS 2.1
Acid pKa 3.5892224  质子受体
质子供体 LogD (pH = 5.5) -1.3181038 
LogD (pH = 7.4) -2.5354536  Log P -1.1881938 
摩尔折射率 68.7683 cm3 极化性 22.328514 Å3
极化表面积 115.81 Å2 可自由旋转的化学键
里宾斯基五规则 true 
Log P -0.16  LOG S -1.78 
溶解度 3.73e+00 g/l 

分子性质

分子性质

理化性质 安全信息 产品相关信息 生物活性(PubChem)
溶解度
3.8 mg/L expand 查看数据来源
疏水性(logP)
-1.9 expand 查看数据来源
保存条件
-20°C expand 查看数据来源
成盐信息
Free Base expand 查看数据来源

详细说明

详细说明

DrugBank DrugBank Selleck Chemicals Selleck Chemicals
DrugBank -  DB00190 external link
Item Information
Drug Groups approved
Description An inhibitor of DOPA decarboxylase, preventing conversion of levodopa to dopamine. It is used in parkinson disease to reduce peripheral adverse effects of levodopa. It has no antiparkinson actions by itself. [PubChem]
Indication For treatment of the symptoms of idiopathic Parkinson's disease (paralysis agitans), post-encephalitic parkinsonism
Pharmacology Carbidopa, a noncompetitive decarboxylase inhibitor, is used in combination with levodopa for the treatment of Parkinson's disease.
Toxicity Symptoms of a carbidopa toxicity include muscle spasms or weakness, spasms of the eyelid, nausea, vomiting, diarrhea, an irregular heartbeat, confusion, agitation, hallucinations, and unconsciousness.
Affected Organisms
Humans and other mammals
Biotransformation The loss of the hydrazine functional group (probably as molecular nitrogen) represents the major metabolic pathway for carbidopa. There are several metabolites of carbidopa metabolism including 3-(3,4-dihydroxyphenyl)-2-methylpropionic acid, 3-(4-hydroxy-3-methoxyphenyl)-2-methylpropionic acid, 3-(3-hydroxyphenyl)-2-methylpropionic acid, 3-(4-hydroxy-3-methoxyphenyl)-2-methyllactic acid, 3-(3-hydroxyphenyl)-2-methyllactic acid, and 3,4-dihydroxyphenylacetone (1,2). [PMID: 4150141]
Absorption Rapidly decarboxylated to dopamine in extracerebral tissues so that only a small portion of a given dose is transported unchanged to the central nervous system.
Half Life 1-2 hours
Protein Binding 76%
Elimination In clinical pharmacologic studies, simultaneous administration of separate tablets of carbidopa and levodopa produced greater urinary excretion of levodopa in proportion to the excretion of dopamine when compared to the two drugs administered at separate times.
References
Vickers S, Stuart EK, Bianchine JR, Hucker HB, Jaffe ME, Rhodes RE, Vandenheuvel WJ: Metabolism of carbidopa (1-(-)-alpha-hydrazino-3,4-dihydroxy-alpha-methylhydrocinnamic acid monohydrate), an aromatic amino acid decarboxylase inhibitor, in the rat, rhesus monkey, and man. Drug Metab Dispos. 1974 Jan-Feb;2(1):9-22. [Pubmed]
Vickers S, Stuart EK, Hucker HB: Further studies on the metabolism of carbidopa, (minus)-L-alpha-hydrazino-3,4-dihydroxy-alpha-methylbenzenepropanoic acid monohydrate, in the human, Rhesus monkey, dog, and rat. J Med Chem. 1975 Feb;18(2):134-8. [Pubmed]
External Links
Wikipedia
RxList
Drugs.com
Selleck Chemicals -  S1891 external link
Research Area: Neurological Disease
Biological Activity:
Carbidopa is an aromatic-L-amino-acid decarboxylase inhibitor with an IC50 of 29 ± 2 μM. [1] It increases the plasma half-life of levodopa from 50 minutes to 1½ hours. CarbiDOPA cannot cross the blood brain barrier, so it inhibits only peripheral DDC. It thus prevents the conversion of L-DOPA to dopamine peripherally. This reduces the side effects caused by dopamine on the periphery,besides, it increases the concentration of L-DOPA and dopamine in the brain. [2]

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • Vickers S, Stuart EK, Bianchine JR, Hucker HB, Jaffe ME, Rhodes RE, Vandenheuvel WJ: Metabolism of carbidopa (1-(-)-alpha-hydrazino-3,4-dihydroxy-alpha-methylhydrocinnamic acid monohydrate), an aromatic amino acid decarboxylase inhibitor, in the rat, rhesus monkey, and man. Drug Metab Dispos. 1974 Jan-Feb;2(1):9-22. Pubmed
  • Vickers S, Stuart EK, Hucker HB: Further studies on the metabolism of carbidopa, (minus)-L-alpha-hydrazino-3,4-dihydroxy-alpha-methylbenzenepropanoic acid monohydrate, in the human, Rhesus monkey, dog, and rat. J Med Chem. 1975 Feb;18(2):134-8. Pubmed
  • http://en.wikipedia.org/wiki/Carbidopa
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专利

专利

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