SML1861
J104129 fumarate
≥98% (HPLC)
别名:
J-104129, (αR)-α-Cyclopentyl-α-hydroxy-N-[1-(4-methyl-3-penten-1-yl)-4-piperidinyl]-Benzeneacetamide fumarate
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关于此项目
经验公式（希尔记法）:
C24H36N2O2 · C4H4O4
化学文摘社编号:
分子量:
500.63
UNSPSC Code:
12352200
NACRES:
NA.77
MDL number:
InChI
1S/C24H36N2O2.C4H4O4/c1-19(2)9-8-16-26-17-14-22(15-18-26)25-23(27)24(28,21-12-6-7-13-21)20-10-4-3-5-11-20;5-3(6)1-2-4(7)8/h3-5,9-11,21-22,28H,6-8,12-18H2,1-2H3,(H,25,27);1-2H,(H,5,6)(H,7,8)/b;2-1+/t24-;/m0./s1
SMILES string
O=C(O)/C=C/C(O)=O.CC(C)=CCCN(CC1)CCC1NC([C@](C2CCCC2)(O)C3=CC=CC=C3)=O
InChI key
HUCQUCITPHOUAC-DSSYAJFBSA-N
assay
≥98% (HPLC)
form
powder
optical activity
[α]/D -6 to -8°, c = 1 in methanol
color
white to beige
solubility
DMSO: 20 mg/mL, clear
storage temp.
2-8°C
Quality Level
Biochem/physiol Actions
J104129 is a muscarinic M3 receptor antagonist greater than 100-fold selectivity for M3 over M2 receptors. Its Ki for M3 receptors = 4.2 nM compared to a Ki of 490 nM for M2 receptors. J-104129 showed potent bronchodilator activity in animal studies.
Potent M3 muscarinic receptor antagonist with > 120-fold selectivity over M2 receptors
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
M Mitsuya et al.
Bioorganic & medicinal chemistry, 7(11), 2555-2567 (2000-01-13)
A new class of 4-acetamidopiperidine derivatives has been synthesized and investigated for human muscarinic receptor subtype selectivity. Introduction of a hydrocarbon chain of appropriate length into the piperidine nitrogen of the racemic N-(piperidin-4-yl)-2-cyclobutyl-2-hydroxy-2-phenylacetamide platform conferred up to 70-fold selectivity for
Aline Fassini et al.
Journal of neuroscience research, 93(5), 830-838 (2015-01-17)
The prelimbic cortex (PL), a limbic structure, sends projections to areas involved in the control of cardiovascular responses. Stimulation of the PL with acetylcholine (ACh) evokes depressor and tachycardiac responses mediated by local PL muscarinic receptors. Early studies demonstrated that
Yun Zhu et al.
Journal of neurochemistry, 137(2), 226-239 (2016-01-30)
Neurons in the vestibular nuclei have a vital function in balance maintenance, gaze stabilization, and posture. Although muscarinic acetylcholine receptors (mAChRs) are expressed and involved in regulating vestibular function, it remains unclear how individual mAChR subtypes regulate vestibular neuronal activity.
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