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Chemical structure of Myosin V-IN-1

GC69520

Myosin V-IN-1

Also known as 3-[[3-[[3-(4-morpholin-4-ylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]methylsulfanyl]benzoic acid

Myosin V-IN-1 (compound 8) is an effective and selective inhibitor of Myosin V, with a Ki of 6 μM· Myosin V-IN-1 exhibits acute inhibitory effects on myosin V· It slows down the activation of myosin by specifically inhibiting the release of ADP from the actomyosin complex through inhibition of myosin V ATPase

ChemicalCAS1259177-59-7MW538.62FormulaC29H26N6O3S
CAS number
1259177-59-7
Molecular weight
538.62
Formula
C29H26N6O3S
Solubility
DMSO ： 100 mg/mL (185·66 mM; Need ultrasonic)
InChIKey
JTMFLTNSCRPRHU-UHFFFAOYSA-N
Catalogue number
GC69520
Brand
GLPBIO
Computed properties PubChem CID 49871791 · XLogP 5 · TPSA 142 Ų · H-bond donors 3
XLogP
5
TPSA
142 Ų
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
39

SMILES C1COCCN1C2=CC=C(C=C2)C3=C4C=NC(=NC4=NN3)NC5=CC=CC(=C5)CSC6=CC=CC(=C6)C(=O)O

Computed descriptors from PubChem (CID 49871791), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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