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[ CAS No. 59-47-2 ] {[proInfo.proName]}

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Chemical Structure| 59-47-2
Chemical Structure| 59-47-2
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Product Citations

Product Citations

Wang, Jinli ; Bonacquisti, Emily E. ; Brown, Adam D. , et al. DOI: PubMed ID:

Abstract: A limitation of using exosomes to their fullest potential is their limited secretion from cells, a major bottleneck to efficient exosome production and application. This is especially true for mesenchymal stem cells (MSCs), which can self-renew but have a limited expansion capacity, undergoing senescence after only a few passages, with exosomes derived from senescent stem cells showing impaired regenerative capacity compared to young cells. Here, we examined the effects of small mol. modulators capable of enhancing exosome secretion from MSCs. The treatment of MSCs with a combination of N-methyldopamine and norepinephrine robustly increased exosome production by three-fold without altering the ability of the MSC exosomes to induce angiogenesis, polarizemacrophages to an anti-inflammatory phenotype, or downregulate collagen expression. These small mol. modulators provide a promising means to increase exosome production by MSCs.

Keywords: exosome secretion ; proteomics ; small molecules

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Product Details of [ 59-47-2 ]

CAS No. :59-47-2 MDL No. :MFCD00004718
Formula : C10H14O3 Boiling Point : -
Linear Structure Formula :- InChI Key :JWDYCNIAQWPBHD-UHFFFAOYSA-N
M.W : 182.22 Pubchem ID :4059
Synonyms :
Decontractyl; Cresoxydiol; Memphenesin; Mephedan
Chemical Name :3-(o-Tolyloxy)propane-1,2-diol

Calculated chemistry of [ 59-47-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.4
Num. rotatable bonds : 4
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 49.84
TPSA : 49.69 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.41 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.16
Log Po/w (XLOGP3) : 1.41
Log Po/w (WLOGP) : 0.73
Log Po/w (MLOGP) : 0.95
Log Po/w (SILICOS-IT) : 1.58
Consensus Log Po/w : 1.37

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.94
Solubility : 2.11 mg/ml ; 0.0116 mol/l
Class : Very soluble
Log S (Ali) : -2.06
Solubility : 1.59 mg/ml ; 0.00875 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.23
Solubility : 1.07 mg/ml ; 0.00585 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.18

Safety of [ 59-47-2 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P264-P270-P301+P312+P330-P501 UN#:N/A
Hazard Statements:H302 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 59-47-2 ]

* 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 [ 59-47-2 ]

[ 59-47-2 ] Synthesis Path-Downstream   1~1

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