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LYN-1604 hydrochloride

CAT: 0013-GTR19189332-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19189332-01Size:50 mg
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Description
LYN-1604 hydrochloride is a potent and selective ULK1 activator (EC50 = 18.94 nM) . It serves as a valuable research tool for investigating autophagy and has been utilized in studies exploring its effects on triple-negative breast cancer (TNBC) cell viability in vitro.
CAS Number
2216753-86-3
Field of Research
Cell Biology, Signal Transduction
Smiles
Cl.CC (C) CN (CC (C) C) CC (=O) N1CCN (CC (OCc2ccc3ccccc3c2) c2ccc (Cl) cc2Cl) CC1
Molecular Formula
C33H44Cl3N3O2
Molecular Weight
621.08
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

LYN-1604 hydrochloride
CAS Number2216753-86-3
PubChem CID131801112
IUPAC Name2-[bis(2-methylpropyl)amino]-1-[4-[2-(2,4-dichlorophenyl)-2-(naphthalen-2-ylmethoxy)ethyl]piperazin-1-yl]ethanone;hydrochloride
Molecular FormulaC33H44Cl3N3O2
Molecular Weight621.1
Topological Polar Surface Area36
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Heavy Atom Count41
Formal Charge0
Complexity750
SMILES
CC(C)CN(CC(C)C)CC(=O)N1CCN(CC1)CC(C2=C(C=C(C=C2)Cl)Cl)OCC3=CC4=CC=CC=C4C=C3.Cl
InChI
InChI=1S/C33H43Cl2N3O2.ClH/c1-24(2)19-37(20-25(3)4)22-33(39)38-15-13-36(14-16-38)21-32(30-12-11-29(34)18-31(30)35)40-23-26-9-10-27-7-5-6-8-28(27)17-26;/h5-12,17-18,24-25,32H,13-16,19-23H2,1-4H3;1H
InChIKey
KWFDUNOLEJSFBQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of LYN-1604 hydrochloride
CAS: 2216753-86-3
CID: 131801112
Formula: C33H44Cl3N3O2
MW: 621.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight621.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Exact Mass619.249911
Monoisotopic Mass619.249911
Topological Polar Surface Area36 Ų
Heavy Atom Count41
Formal Charge0
Complexity750
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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