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[ CAS No. 541-91-3 ] {[proInfo.proName]}

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Chemical Structure| 541-91-3
Chemical Structure| 541-91-3
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Kawsar Hossain ; Madeline Smith ; Stephen W. Santoro DOI: PubMed ID:

Abstract: In mammals, olfactory sensory neurons (OSNs) are born throughout life, presumably solely to replace neurons lost via turnover or injury. This assumption follows from the hypothesis that olfactory neurogenesis is strictly stochastic with respect to neuron subtype, as defined by the single odorant receptor allele that each neural precursor stochastically chooses out of hundreds of possibilities. This hypothesis is challenged by recent findings that the birthrates of a fraction of subtypes are selectively diminished by olfactory deprivation. These findings raise questions about how, and why, olfactory stimuli are required to promote the neurogenesis of some OSN subtypes, including whether the stimuli are generic (e.g., broadly activating odors or mechanical stimuli) or specific (e.g., discrete odorants). Based on RNA-seq and scRNA-seq analyses, we hypothesized that the neurogenic stimuli are specific odorants that selectively activate the same OSN subtypes whose birthrates are accelerated. In support of this, we have found, using subtype-specific OSN birthdating, that exposure to male and musk odors can accelerate the birthrates of responsive OSNs. Collectively, our findings reveal that certain odor experiences can selectively “amplify” specific OSN subtypes, and that persistent OSN neurogenesis may serve, in part, an adaptive function.

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Product Details of [ 541-91-3 ]

CAS No. :541-91-3 MDL No. :MFCD00211114
Formula : C16H30O Boiling Point : -
Linear Structure Formula :- InChI Key :ALHUZKCOMYUFRB-UHFFFAOYSA-N
M.W : 238.41 Pubchem ID :10947
Synonyms :
3-Methylcyclopentadecanone;Methylexaltone
Chemical Name :3-Methylcyclopentadecanone

Calculated chemistry of [ 541-91-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 17
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.94
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 77.11
TPSA : 17.07 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -3.32 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.23
Log Po/w (XLOGP3) : 6.25
Log Po/w (WLOGP) : 5.28
Log Po/w (MLOGP) : 3.92
Log Po/w (SILICOS-IT) : 4.39
Consensus Log Po/w : 4.61

Druglikeness

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

Water Solubility

Log S (ESOL) : -5.26
Solubility : 0.00132 mg/ml ; 0.00000555 mol/l
Class : Moderately soluble
Log S (Ali) : -6.4
Solubility : 0.0000959 mg/ml ; 0.000000402 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -4.11
Solubility : 0.0185 mg/ml ; 0.0000776 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 3.09

Safety of [ 541-91-3 ]

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