Valproic acid-[d6]

Category	Human immunodeficiency Virus (HIV)
CAS	87745-18-4
Description	One of the isotopic labelled form of Valproic Acid, which could be used as an antiepileptic agent.

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Product Information

Synonyms	2-(Propyl-3,3,3-d3)pentanoic-5,5,5-d3 Acid; Dipropylacetic Acid-d6; 2-Propylvaleric Acid-d6
IUPAC Name	5,5,5-trideuterio-2-(3,3,3-trideuteriopropyl)pentanoic acid
Molecular Weight	150.25
Molecular Formula	C8H12D6O2
Canonical SMILES	CCCC(CCC)C(=O)O
InChI	InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/i1D3,2D3
InChIKey	NIJJYAXOARWZEE-WFGJKAKNSA-N
Boiling Point	220°C at 760 mmHg
Flash Point	116.6°C
Purity	95% by HPLC; 98% atom D
Density	0.965g/cm3
Solubility	In vitro: 10 mM in DMSO
Appearance	Colorless to light yellow (Liquid)
Storage	Powder: -20°C: 3 years 4°C: 2 years In solvent: -80°C: 6 months -20°C: 1 month
Complexity	93.4
Exact Mass	150.152690225
Index Of Refraction	1.435
In Vitro	Valproic acid (VPA) (0-15 mM; 24 and 72 h) inhibits Hela cell growth in a dose- and time- dependent manner. Valproic acid (10 mM; 24 h) significantly attenuates the activities of total, cytosol and nuclear HDACs. Valproic acid (0-15 mM; 24 h) induces a G1 phase arrest at 1-3 mM and a G2/M phase arrest at 10 mM, and increases the percentage of sub-G1 cells in HeLa cells. Valproic acid also induces necrosis, Apoptosis and Lactate dehydrogenase (LDH) release. Valproic acid (0-20 mM; 24 h) activates Tcf/Lef-dependent transcription and synergizes with lithium. Valproic acid (0-5 mM; 0-18 h) increases β-catenin levels in Neuro2A cells. Valproic acid (0-2 mM; 0-24 h) stimulates phosphorylation of AMPK and ACC in hepatocytes. Valproic acid (0-10 mM; 2 days) induces Notch1 signaling and morphologic differentiation, suppresses production of NE tumor markers in SCLC cells.
In Vivo	Valproic acid (VPA) (500 mg/kg; i.p.; daily for 12 days) inhibits tumor angiogenesis in mice transplanted with Kasumi-1 cells. Valproic acid (350 mg/kg; i.p.; once) enhances social behavior in rats. Valproic acid (0.26% (w/v); p.o. via drinking water; 14 days) decreases liver mass, hepatic fat accumulation, and serum glucose in obese mice without hepatotoxicity.
PSA	37.30000
Target	HDAC; Autophagy; Mitophagy; HIV; Notch; Endogenous Metabolite
XLogP3-AA	2.8