Diisopropylammonium dichloroacetate

한글명:Diisopropylammonium dichloroacetate

카스 번호660-27-5

상품명:Diisopropylammonium dichloroacetate

CBNumberCB22130466

분자식C8H17Cl2NO2

포뮬러 무게230.13208

MOL 파일660-27-5.mol

화학적 성질

녹는점	119-121°
RTECS 번호	AG6475000
저장 조건	Sealed in dry,Room Temperature
용해도	DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태	결정성 분말
색상	하얀색
Merck	14,3197
안정성	흡습성
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 데이터베이스	660-27-5
EPA	Acetic acid, dichloro-, compd. with N-(1-methylethyl)-2-propanamine (1:1) (660-27-5)

위험 및 안전 성명

TSCA

Yes

HS 번호

2921199990

독성

LD50 orally in mice: 1700 mg/kg (Kraushaar)

NFPA 704:

	1
2		0

그림문자(GHS)

Diisopropylammonium dichloroacetate 화학적 특성, 용도, 생산

개요
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.
화학적 성질
White or off-white loose mass or powder, slightly bitter, easily soluble in water, ethanol or chloroform, slightly soluble in ether.
역사
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.
용도
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.
정의
ChEBI: Diisopropylamine dichloroacetate is an organohalogen compound and a carboxylic acid.
Synthesis
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%.

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