DBE-4 dibasic ester
Product Information
Molecular Formula
C6H10O4
Molecular Weight
146.14
Description
DBE-4 dibasic ester (CAS# 106-65-0) is a reagent to evaluate the pharmacokinetic parameters of quinoline acylsulfonamides as potent and selective antagonists of EP4 receptor which is used for the treatment for chronic inflammation.
Synonyms
dimethyl butanedioate
IUPAC Name
dimethyl butanedioate
SMILES
COC(=O)CCC(=O)OC
InChI
InChI=1S/C6H10O4/c1-9-5(7)3-4-6(8)10-2/h3-4H2,1-2H3
InChI Key
MUXOBHXGJLMRAB-UHFFFAOYSA-N
Boiling Point
196 °C
Melting Point
18 °C
Flash Point
98 °C
Purity
> 99 %
Density
1.117 g/cm3
Solubility
water, 25000 mg/L @ 20 °C (exp)
Appearance
Colorless liquid.
Application
Used as a solvent for fruit flavors and a synthetic flavor.
Storage
Sealed in dry, Room Temperature
Refractive Index
1.42
Stability
Stable. Combustible. Incompatible with oxidizing agents, acids, bases, reducing agents.
LogP
0.11260
Vapor Pressure
0.3 mm Hg at 68 °F (NTP, 1992);0.41 mmHg;0.3 mmHg at 68°F
Decomposition
When heated to decomposition it emits acrid smoke and irritating vapors
Odor
PLEASANT, ETHEREAL, WINEY ODOR
Safety Information
Hazards
H319:
Causes serious eye irritation.
H373:
May cause damage to organs through prolonged or repeated exposure.
Causes serious eye irritation.
H373:
May cause damage to organs through prolonged or repeated exposure.
Precautionary Statement
P264, P280, P305+P351+P338, and P337+P313
Signal Word
Warning
Computed Properties
XLogP3
0.4
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
5
Exact Mass
146.05790880 g/mol
Monoisotopic Mass
146.05790880 g/mol
Topological Polar Surface Area
52.6Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
114
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-114133539-A | Degradable copolymer and preparation method thereof | 2022-01-10 |
| CN-114181223-A | Cephalotaxine derivative and preparation method and application thereof | 2022-01-05 |
| CN-114149545-A | Aqueous epoxy resin emulsion, its preparation method and application | 2021-12-31 |
| CN-114045094-A | Aqueous epoxy resin dispersion and preparation method thereof | 2021-12-18 |
| JP-2022040133-A | A photosensitive coloring composition for a color filter for a solid-state image sensor, a color filter, and a solid-state image sensor using the same. | 2021-12-15 |
| CN-113921165-A | Organic gold slurry | 2021-12-14 |
| CN-114057601-A | Preparation method of succinic dihydrazide | 2021-12-14 |
| CN-114163626-A | Polymerization catalyst, preparation method thereof and application of polymerization catalyst in preparation of poly (butylene succinate) | 2021-12-10 |
| CN-114178292-A | System and method for realizing co-production of multiple ester products by taking food waste as raw material | 2021-12-10 |
| CN-114149877-A | Semiconductor cleaning agent | 2021-12-09 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 23008214 | 2012-11-05 | Understanding the solvent effect on the catalytic oxidation of 1,4-butanediol in methanol over Au/TiO2 catalyst: NMR diffusion and relaxation studies | Chemistry (Weinheim an der Bergstrasse, Germany) |
| 22730259 | 2012-08-01 | Antimicrobial hydantoin-containing polyesters | Macromolecular bioscience |
| 22781119 | 2012-07-10 | Metformin and phenethyl isothiocyanate combined treatment in vitro is cytotoxic to ovarian cancer cultures | Journal of ovarian research |
| 22364569 | 2012-02-24 | Analysis of volatile organic compounds released from human lung cancer cells and from the urine of tumor-bearing mice | Cancer cell international |
| 22272304 | 2012-01-01 | Reactive oxygen species stimulate insulin secretion in rat pancreatic islets: studies using mono-oleoyl-glycerol | PloS one |
| 22496810 | 2012-01-01 | Investigation of mitochondrial dysfunction by sequential microplate-based respiration measurements from intact and permeabilized neurons | PloS one |
| 22662171 | 2012-01-01 | Dopamine induced neurodegeneration in a PINK1 model of Parkinson's disease | PloS one |
| 21947382 | 2011-12-01 | Metformin activates AMP-activated protein kinase in primary human hepatocytes by decreasing cellular energy status | Diabetologia |
| 22829187 | 2011-07-01 | Glucocorticoid-induced cell death is mediated through reduced glucose metabolism in lymphoid leukemia cells | Blood cancer journal |
| 22043288 | 2011-01-01 | Bioenergetic consequences of PINK1 mutations in Parkinson disease | PloS one |
