Carbidopa

HCID 34359

Grundinformationen

CAS
28860-95-9
Standard-SMILES
C[C@@](Cc1ccc(O)c(O)c1)(NN)C(=O)O
InChIKey
TZFNLOMSOLWIDK-JTQLQIEISA-N
Summenformel
C10H14N2O4
Durchschnittliche Molmasse
226,23 g/mol
Monoisotopische Masse
226,09535693

Namen und Bezeichner

Bevorzugter Name
Carbidopa
IUPAC
(2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid
Englischer Name
S-(-)-Carbidopa
Summenformel
C10H14N2O4
Molmasse
226.23

Namen und Synonyme

carbidopa28860-95-9LodosynCarbidopa anhydrous(S)-carbidopa(S)-(-)-carbidopaN-Aminomethyldopaalpha-MethyldopahydrazineCarbidopumL-alpha-MethyldopahydrazineCarbidopa (anhydrous)(2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid
Weitere Namen anzeigen
S(-)-CARBIDOPACarbidopa-d3mk486KINSONL-3-(3,4CARBIDOPA EDMFCarbidopa MonomerCARBIDOPAANHYDROUS
MK 486L-3-(3,4-Dihydroxyphenyl)-2-methyl-2-hydrazinopropionic acidDTXSID4022735(-)-L-alpha-Hydrazino-3,4-dihydroxy-alpha-methylhydrocinnamic acidKR87B45RGHMK-486(alphaS)-alpha-hydrazino-3,4-dihydroxy-alpha-methylbenzenepropanoic acidDTXCID502735

Datenbank-Bezeichner

CAS
28860-95-9、38821-49-7
PubChem CID
34359
DTXSID
DTXSID4022735
ChEMBL
CHEMBL1200748、CHEMBL1201236
ChEBI
CHEBI:39585
UNII
KR87B45RGH
EC Number
249-271-9、657-445-4
Nikkaji
J17.160C

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-2,2
Polarare Oberfläche (TPSA)
116 Ų
H-Brücken-Donoren
5
H-Brücken-Akzeptoren
6
Frei drehbare Bindungen
4
Schwere Atome
16

Experimentelle und physikochemische Eigenschaften

LogP · 2 Einträge

-1.9

-1.9

Solubility3.8
Boiling PointDecomposes
Melting Point · 2 Einträge

203-208 °C

203 - 205 °C

Physical DescriptionSolid
Dissociation Constants2.3

Physikochemische Eigenschaften

Schmelzpunkt
203 · 203-205° (dec); mp 208°
Siedepunkt
367.84 °C · 367.84°C (rough estimate)
Dichte
1.2616 · 1.2616 (rough estimate)
Brechungsindex
1.5 · 1.5000 (estimate)
storage temp.
-20 °C · -20°C
Löslichkeit
DMSO (Slightly), Methanol (Slightly)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 2.7% (2 of 75) of reports.

Danger

H315 (82.7%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (82.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (82.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H351 (12%): Suspected of causing cancer [Warning Carcinogenicity];H360 (12%): May damage fertility or the unborn child [Danger Reproductive toxicity]

P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 75 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 2 of 75 reports by companies.;There are 9 notifications provided by 73 of 75 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 16-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/29434
Hazard Classes and Categories · 2 Einträge

Skin Irrit. 2 (82.7%);Eye Irrit. 2A (82.7%);STOT SE 3 (82.7%)

Muta. 2 (100%)

Toxikologische Informationen

Adverse Effects · 1 Eintrag

Because of the irreversible binding of AADC, carbidopa can decrease or deplete peripheral levels of serotonin, dopamine, norepinephrine, and epinephrine. Additionally, research has demonstrated that the irreversible binding of PLP causes nutritional deficiencies in vitamins B3 and B6. Specific carbidopa-induced dyskinesias, including “facial twitching and head bobbing,” have also been described.;Recognizing the adverse effects associated with carbidopa/levodopa combinations is also essential. In addition to dyskinetic movements, there are reports of psychiatric problems, autonomic dysfunction, and sensory/pain symptoms with levodopa use. These non-motor symptoms range from euphoric mood, hallucinations, and worsening cognition, to poor thermoregulation, dysphagia, and peripheral neuropathy and can vary depending on the “on/off” fluctuations of levodopa.

Toxicity Summary · 1 Eintrag

There is little data to suggest a possibility for or symptoms of carbidopa toxicity. However, reported data indicate that carbidopa/levodopa intestinal gel infusion can cause significant damage to small nerve fibers leading to pain and sensory discomfort.

Drug Induced Liver Injury · 6 Einträge

Drug Induced Liver Injury Rank (DILIrank 2.0)

Carbidopa

Ambiguous-DILI-concern

3

Warnings & precautions

DOI:10.1016/j.drudis.2016.02.015

Regulatorische Informationen

Regulatory InformationStatus: Active Update: 16-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/29434

Sicherheitsdaten

wgk
3
RTECS-Nr.
MW5298000
Speicherklasse
11 - Combustible Solids

Chemie und Industrie

Pharmakologische Informationen

Protein BindingIt is widely accepted that the protein binding of carbidopa is 76%. However, more studies are required or the presentation of the source of this information.
Pharmacodynamics · 1 Eintrag

When mixed with [levodopa], carbidopa inhibits the peripheral conversion of [levodopa] to dopamine and the decarboxylation of [oxitriptan] to serotonin by aromatic L-amino acid decarboxylase. This results in an increased amount of [levodopa] and [oxitriptan] available for transport to the central nervous system. Carbidopa also inhibits the metabolism of [levodopa] in the GI tract, thus, increasing the bioavailability of [levodopa]. The presence of additional units of circulating [levodopa] can increase the effectiveness of the still functional dopaminergic neurons and it has been shown to alleviate symptoms for a time. The action of carbidopa is very important as [levodopa] is able to cross the blood-brain barrier while dopamine cannot. Hence the administration of carbidopa is essential to prevent the transformation of external [levodopa] to dopamine before reaching the main action site in the brain. The coadministration of carbidopa with [levodopa] has been shown to increase the half-life of [levodopa] more than 1.5 times while increasing the plasma level and decreasing clearance. The combination therapy has also shown an increase of the recovery of [levodopa] in urine instead of dopamine which proves a reduced metabolism. This effect has been highly observed by a significant reduction in [levodopa] requirements and a significant reduction in the presence of side effects such as nausea. It has been observed that the effect of carbidopa is not dose-dependent.

Mechanism of Action · 1 Eintrag

Carbidopa is an inhibitor of the DDC which in order, inhibits the peripheral metabolism of levodopa. DDC is very important in the biosynthesis of L-tryptophan to serotonin and the modification of L-DOPA to dopamine. DDC can be found in the body periphery and in the blood-brain barrier. The action of carbidopa is focused on peripheral DDC as this drug cannot cross the blood-brain barrier. Hence, it will prevent the metabolism of [levodopa] in the periphery but it will not have any activity on the generation of dopamine in the brain.

Biological Half-LifeThe reported half-life of carbidopa is of approximately 107 minutes.
Metabolism/Metabolites · 1 Eintrag

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).

FDA Pharmacological Classification · 5 Einträge

MNX7R8C5VO

CARBIDOPA

Established Pharmacologic Class [EPC] - Aromatic Amino Acid Decarboxylation Inhibitor

Mechanisms of Action [MoA] - DOPA Decarboxylase Inhibitors

Carbidopa is an Aromatic Amino Acid Decarboxylation Inhibitor. The mechanism of action of carbidopa is as a DOPA Decarboxylase Inhibitor.

Verwendung und Herstellung

UsesUse (kg; approx.) in Germany (2009): >5000;Use (kg) in USA (2002): 4810;Consumption (g per capita; approx.) in Germany (2009): 0.0611;Consumption (g per capita) in the USA (2002): 0.0171;Excretion rate: 0.18;Calculated removal (%): 75.1
Use ClassificationPharmaceuticals

Anwendungen

Verwendenin combinaison with levodopa as antiparkinsonian;inhibits aromatic-L-amino-acid decarboxylase (DOPA Decarboxylase or DDC)

Anbieter100 Anbieter

浙江野风药业股份有限公司[email protected]
北京华美互利生物化工010-56205725 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Ergänzende Hinweise · 1 Eintrag

DefinitionChEBI: 3-(3,4-Dihydroxyphenyl)propanoic acid in which the hydrogens alpha- to the carboxyl group are substituted by hydrazinyl and methyl groups (S-configuration). Carbidopa is a dopa decarboxylase inhibitor, so prevents conversi n of levodopa to dopamine. It has no antiparkinson activity by itself, but is used (commonly as its hydrate) in the management of Parkinson's disease to reduce peripheral adverse effects of levodopa.

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