Diisopropylamine dichloroacetate

• CAT Number: I026158
• CAS Number: 660-27-5
• Molecular Formula: C8H17Cl2NO2
• Molecular Weight: 230.13
• Purity: 98%
• Synonyms: Diisopropylamine dichloroacetate; IS401; IS-401; IS 401
• Solubility: Soluble in DMSO
• Appearance: Solid powder
• Storage: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
• IUPAC Name: diisopropylamine 2,2-dichloroacetate
• 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: CC(NC(C)C)C.OC(C(Cl)Cl)=O

Diisopropylamine dichloroacetate (Cat.No:I026158) is a chemical compound with potential therapeutic applications. It is a derivative of dichloroacetic acid and is known for its potential anticancer properties. Studies suggest that diisopropylamine dichloroacetate can inhibit cancer cell growth and induce apoptosis. Further research is ongoing to explore its efficacy and safety profiles. 

Reference

1: Gelernt MD, Herbert V. Mutagenicity of diisopropylamine dichloroacetate, the “active constituent” of vitamin B15 (pangamic acid). Nutr Cancer. 1982;3(3):129-33. doi: 10.1080/01635588109513714. PMID: 6752894.
2: Dong G, Chen Q, Jiang F, Yu D, Mao Q, Xia W, Shi R, Wang J, Xu L. Diisopropylamine dichloroacetate enhances radiosensitization in esophageal squamous cell carcinoma by increasing mitochondria-derived reactive oxygen species levels. Oncotarget. 2016 Oct 18;7(42):68170-68178. doi: 10.18632/oncotarget.11906. PMID: 27626688; PMCID: PMC5356547.
3: Lu LG, Zeng MD, Mao YM, Chen CW, Fu QC, Wang JY, Xie WF, Fan JG. [Diisopropylamine dichloroacetate in the treatment of nonalcoholic fatty liver disease: a multicenter random double-blind controlled trial]. Zhonghua Gan Zang Bing Za Zhi. 2005 Feb;13(2):92-5. Chinese. PMID: 15727691.
4: Su L, Zhang H, Yan C, Chen A, Meng G, Wei J, Yu D, Ding Y. Superior anti- tumor efficacy of diisopropylamine dichloroacetate compared with dichloroacetate in a subcutaneous transplantation breast tumor model. Oncotarget. 2016 Oct 4;7(40):65721-65731. doi: 10.18632/oncotarget.11609. PMID: 27582548; PMCID: PMC5323187.
5: Yamane K, Indalao IL, Chida J, Yamamoto Y, Hanawa M, Kido H. Diisopropylamine dichloroacetate, a novel pyruvate dehydrogenase kinase 4 inhibitor, as a potential therapeutic agent for metabolic disorders and multiorgan failure in severe influenza. PLoS One. 2014 May 27;9(5):e98032. doi: 10.1371/journal.pone.0098032. PMID: 24865588; PMCID: PMC4035290.
6: Kitamura N, Ota Y, Mimura K. Effects of diisopropylamine dichloroacetate on proliferation and differentiation of normal human keratinocytes in vitro. Skin Pharmacol Appl Skin Physiol. 1999 Nov-Dec;12(6):317-25. doi: 10.1159/000029893. PMID: 10545828.
7: Hasegawa K, Seno S. [Gas chromatographic determination of diisopropylamine dichloroacetate in pharmaceutical preparations]. Yakugaku Zasshi. 1966 Sep;86(9):744-8. Japanese. doi: 10.1248/yakushi1947.86.9_744. PMID: 6010913.
8: Yang JM, Woods WE, Weckman TJ, Wood TW, Chang SL, Blake JW, Tobin T. The detection, pharmacokinetics and behavioral effects of diisopropylamine dichloroacetate (DADA) in the horse: a preliminary report. Gen Pharmacol. 1988;19(5):683-8. doi: 10.1016/0306-3623(88)90129-2. PMID: 3215480.
9: Liu D, Wang F, Yue J, Jing X, Huang Y. Metabolism targeting therapy of dichloroacetate-loaded electrospun mats on colorectal cancer. Drug Deliv. 2015 Jan;22(1):136-43. doi: 10.3109/10717544.2013.870258. Epub 2013 Dec 20. PMID: 24359441.
10: TSUJI T, ODA T, MURANO T. [Pharmacological studies on diisopropylamine dichloroacetate (DADA)]. Osaka City Med J. 1961 Dec;10:463-70. Japanese. PMID: 13922879.