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[ CAS No. 923-32-0 ] {[proInfo.proName]}

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Chemical Structure| 923-32-0
Chemical Structure| 923-32-0
Structure of 923-32-0 * Storage: {[proInfo.prStorage]}

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Product Citations

Product Citations

Wu, Jiandong ; Sigler, Austin ; Pfaff, Annalise , et al. DOI: PubMed ID:

Abstract: Oxidative stress is reported to be part of the pathol. of many ocular diseases. For the diagnosis of ocular diseases, tear fluid has unique advantages. Although numerous anal. methods exist for the measurement of different types of biomols. in tear fluid, few have been reported for comprehensive understanding of oxidative stress-related thiol redox signaling. In this study, a high-performance liquid chromatog.-tandem mass spectrometry (HPLC-MS/MS) method was developed to determine a panel of twelve metabolites that systematically covered several thiol metabolic pathways. With optimization of MS/MS parameters and HPLC mobile phases, this method was sensitive (LOQ as low as 0.01 ng/mL), accurate (80-125% spike recovery) and precise (<10% RSD). This LC-MS/MS method combined with a simple tear fluid collection with Schirmer test strip followed by ultrafiltration allowed the high-throughput anal. for efficient determination of metabolites associated with thiol redox signaling in human tear fluids. The method was then applied to a small cohort of tear fluids obtained from healthy individuals. The method presented here provides a new technique to facilitate future work aiming to determine the complex thiol redox signaling in tear fluids for accurate assessment and diagnosis of ocular diseases.

Keywords: Biomarker ; Glutathione ; HPLC-MS/MS ; Ocular disease ; Tear fluid ; Thiol

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Product Details of [ 923-32-0 ]

CAS No. :923-32-0 MDL No. :MFCD00084652
Formula : C6H12N2O4S2 Boiling Point : -
Linear Structure Formula :- InChI Key :LEVWYRKDKASIDU-UHFFFAOYSA-N
M.W : 240.30 Pubchem ID :595
Synonyms :
DL-Cystine

Calculated chemistry of [ 923-32-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.67
Num. rotatable bonds : 7
Num. H-bond acceptors : 6.0
Num. H-bond donors : 4.0
Molar Refractivity : 55.1
TPSA : 177.24 ?2

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -11.37 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.67
Log Po/w (XLOGP3) : -5.08
Log Po/w (WLOGP) : -0.81
Log Po/w (MLOGP) : -5.83
Log Po/w (SILICOS-IT) : -1.33
Consensus Log Po/w : -2.47

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 1.0
Egan : 1.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : 2.33
Solubility : 51700.0 mg/ml ; 215.0 mol/l
Class : Highly soluble
Log S (Ali) : 2.0
Solubility : 23900.0 mg/ml ; 99.6 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : 0.95
Solubility : 2170.0 mg/ml ; 9.02 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.39

Safety of [ 923-32-0 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 923-32-0 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 923-32-0 ]
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