ChemicalBook--->CAS DataBase List--->257603-40-0

257603-40-0

257603-40-0 Structure

257603-40-0 Structure
IdentificationBack Directory
[Name]

J104129
[CAS]

257603-40-0
[Synonyms]

J104129
J104129 fumarate >=98% (HPLC)
[Molecular Formula]

C28H40N2O6
[MOL File]

257603-40-0.mol
[Molecular Weight]

500.64
Chemical PropertiesBack Directory
[storage temp. ]

2-8°C
[solubility ]

Soluble to 100 mM in DMSO and to 50 mM in ethanol
[form ]

powder
[color ]

white to beige
[Optical Rotation]

[α]/D -6 to -8°, c = 1 in methanol
[InChIKey]

HUCQUCITPHOUAC-DSSYAJFBSA-N
[SMILES]

O=C(O)/C=C/C(O)=O.CC(C)=CCCN(CC1)CCC1NC([C@](C2CCCC2)(O)C3=CC=CC=C3)=O
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

J 104129 Fumarate is a novel muscarinic M3 receptor antagonist with high selectivity for M3 over M2 receptors.
[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.
[IC 50]

mAChR3: 4.2 nM (Ki); mAChR2: 490 nM (Ki)
[storage]

Store at +4°C
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