SML1861
J104129 fumarate
≥98% (HPLC)
Synonym(s):
J-104129, (αR)-α-Cyclopentyl-α-hydroxy-N-[1-(4-methyl-3-penten-1-yl)-4-piperidinyl]-Benzeneacetamide fumarate
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About This Item
Empirical Formula (Hill Notation):
C24H36N2O2 · C4H4O4
CAS Number:
Molecular Weight:
500.63
UNSPSC Code:
12352200
NACRES:
NA.77
MDL number:
Assay:
≥98% (HPLC)
Form:
powder
Quality Segment
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
SMILES string
O=C(O)/C=C/C(O)=O.CC(C)=CCCN(CC1)CCC1NC([C@](C2CCCC2)(O)C3=CC=CC=C3)=O
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
InChI key
HUCQUCITPHOUAC-DSSYAJFBSA-N
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
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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