Dichloressigsäure, Verbindung mitN-(1-Methylethyl)-2-propanamin(1:1)

Bezeichnung:Dichloressigsäure, Verbindung mitN-(1-Methylethyl)-2-propanamin(1:1)

CAS-Nr660-27-5

Englisch Name:Diisopropylammonium dichloroacetate

CBNumberCB22130466

SummenformelC8H17Cl2NO2

Molgewicht230.13208

MOL-Datei660-27-5.mol

Synonyma

Diisopropylammoniumdichloracetat

Dichloressigsäure, Verbindung mitN-(1-Methylethyl)-2-propanamin(1:1)

Dichloressigsäure, Verbindung mitN-(1-Methylethyl)-2-propanamin(1:1) physikalisch-chemischer Eigenschaften

Schmelzpunkt	119-121°
RTECS-Nr.	AG6475000
storage temp.	Sealed in dry,Room Temperature
Löslichkeit	DMSO (Slightly), Methanol (Slightly)
Aggregatzustand	Crystalline Powder
Farbe	White
Merck	14,3197
Stabilität	Hygroscopic
InChI	InChI=1S/C6H15N.C2H2Cl2O2/c1-5(2)7-6(3)4;3-1(4)2(5)6/h5-7H,1-4H3;1H,(H,5,6)
InChIKey	ILKBHIBYKSHTKQ-UHFFFAOYSA-N
SMILES	C(O)(=O)C(Cl)Cl.CC(NC(C)C)C
CAS Datenbank	660-27-5
EPA chemische Informationen	Acetic acid, dichloro-, compd. with N-(1-methylethyl)-2-propanamine (1:1) (660-27-5)

Sicherheit

TSCA	Yes
HS Code	2921199990
Toxizität	LD50 orally in mice: 1700 mg/kg (Kraushaar)

Gefahreninformationscode (GHS)

Diisopropylammonium dichloroacetate Chemische Eigenschaften,Einsatz,Produktion Methoden

Beschreibung
Diisopropylammonium dichloroacetate is a hepatoprotective drug that improves the energy metabolism of hepatocytes, promotes the regeneration of injured hepatocytes, increases the rate of tissue cell respiration and oxygen respiration, and reduces the accumulation of fat in the liver. It is mainly used clinically for the treatment of fatty liver, intrahepatic cholestasis, and general liver dysfunction. It is also used in the treatment of acute and chronic hepatitis, hepatomegaly, and early cirrhosis.
Chemische Eigenschaften
White or off-white loose mass or powder, slightly bitter, easily soluble in water, ethanol or chloroform, slightly soluble in ether.
History
In the 1950s, the compound diisopropylammonium dichloroacetate (DIPA) was used in the synthesis of methylated derivatives of a purportedly naturally occurring B vitamin (pangamic acid; dgluconodimethylaminoacetate). Anecdotal clinical reports appeared claimingefficacy in various metabolic and cardiovascular disorders from pharmaceuticalmixtures of pangamic acid and DIPA. In 1970,DCA was identified as themetabolically active moiety of DIPA(Stacpoole & Felts,1970) and it has beenused thereafter almost exclusively as the sodium salt.
Verwenden
Diisopropylammonium dichloroacetate (DIPA) is known to produce a significant and prolonged hypoglycemic effect in alloxan-diabetic but not in normal rats.
Diisopropylamine 2,2-Dichloroacetate is used in the treatment of antituberculosis drugs-induced liver injury.
Definition
ChEBI: Diisopropylamine dichloroacetate is an organohalogen compound and a carboxylic acid.
Synthese
Diisopropylammonium dichloroacetate is prepared by the reaction of dichloro-acetic acid and diisopropylamine. The steps are as follows:
1 volume of acetone is mixed with 1.5 volumes of cyclohexane to obtain a mixed solvent; Add 1 mol of diisopropylamine (101.19g, C6H15N, Mr=101.19) into 150ml of mixed solvent, stir evenly, and heat the liquid material to 50°C; slowly add 1mol of dichloroacetic acid (128.94g, C2H2Cl2O2, Mr=128.94) dropwise to the liquid material obtained in step (at a speed of about 10g/min) under heat preservation and stirring conditions,After the feeding is complete, keep warm and continue to stir for 3 hours, then naturally cool to 4-8°C, and then stand at this temperature for 10 hours; Filter the material obtained in step, separate the mother liquor, collect white crystals, and dry at 70° C. to obtain 216.8 g of the diisopropylamine dichloroacetate (C8H17Cl2NO2, Mr=230.13), with a molar yield of 94.2%.
Mode of action
The mechanism of action of diisopropyl dichloroacetate is to enhance the fluidity of hepatocyte membranes by promoting sequential methylation of membrane phospholipids, to increase the activity of Na+-K+-ATPase, which is the main driving force of bile secretion and flow; to promote the functional repair of damaged hepatocytes, to improve the respiratory function and oxygen utilization of tissue cells, to increase the metabolic activity of fatty acids, to accelerate the oxidation of fatty acids, and to create conditions for the recovery of liver function.

Dichloressigsäure, Verbindung mitN-(1-Methylethyl)-2-propanamin(1:1) Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

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