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NZ-66

CAT: 0931-T210197-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T210197-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3062992-25-7
Target
Mitophagy, Autophagy
Related Pathways
Autophagy
Bioactivity
NZ-66 is a chimeric molecule that targets UNC-51-like kinase 1 (ULK1) to facilitate proximity-induced, ULK1-dependent mitochondrial degradation. It triggers mitophagy (mitochondrial autophagy) and has potential for alleviating neurodegenerative diseases.
Smiles
C(C(NCCCCCCN1C=C(COC2=CC=C([C@H](C(NC3=C(F)C=C(F)C=C3)=O)NC(NC4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=O)C=C2)N=N1)=O)(=O)C5=C(NC=6C5=CC=CC6)C7=CC=CC=C7
Molecular Formula
C48H40F8N8O5
Molecular Weight
960.87
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2R)-2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-N-(2,4-difluorophenyl)-2-[4-[[1-[6-[[2-oxo-2-(2-phenyl-1H-indol-3-yl)acetyl]amino]hexyl]triazol-4-yl]methoxy]phenyl]acetamide
CAS Number3062992-25-7
PubChem CID172595833
IUPAC Name(2R)-2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-N-(2,4-difluorophenyl)-2-[4-[[1-[6-[[2-oxo-2-(2-phenyl-1H-indol-3-yl)acetyl]amino]hexyl]triazol-4-yl]methoxy]phenyl]acetamide
Molecular FormulaC48H40F8N8O5
Molecular Weight960.9
XLogP8.8
Topological Polar Surface Area172
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count18
Heavy Atom Count69
Formal Charge0
Complexity1660
SMILES
C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C(=O)C(=O)NCCCCCCN4C=C(N=N4)COC5=CC=C(C=C5)[C@H](C(=O)NC6=C(C=C(C=C6)F)F)NC(=O)NC7=CC(=CC(=C7)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C48H40F8N8O5/c49-32-16-19-39(37(50)25-32)60-44(66)42(61-46(68)58-33-23-30(47(51,52)53)22-31(24-33)48(54,55)56)29-14-17-35(18-15-29)69-27-34-26-64(63-62-34)21-9-2-1-8-20-57-45(67)43(65)40-36-12-6-7-13-38(36)59-41(40)28-10-4-3-5-11-28/h3-7,10-19,22-26,42,59H,1-2,8-9,20-21,27H2,(H,57,67)(H,60,66)(H2,58,61,68)/t42-/m1/s1
InChIKey
GPTQFSRULLJJIZ-HUESYALOSA-N
Chemical Structure
2D Structure
2D structure of (2R)-2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-N-(2,4-difluorophenyl)-2-[4-[[1-[6-[[2-oxo-2-(2-phenyl-1H-indol-3-yl)acetyl]amino]hexyl]triazol-4-yl]methoxy]phenyl]acetamide
CAS: 3062992-25-7
CID: 172595833
Formula: C48H40F8N8O5
MW: 960.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight960.9
XLogP38.8
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count18
Exact Mass960.29939170
Monoisotopic Mass960.29939170
Topological Polar Surface Area172 Ų
Heavy Atom Count69
Formal Charge0
Complexity1660
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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