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2G-HaloAUTAC

CAT: 0931-T88632-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T88632-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2241668-58-4
Target
Autophagy
Related Pathways
Autophagy
Bioactivity
2G-HaloAUTAC (Compound tt44), a second-generation autophagy-targeting chimera (2G-HaloAUTAC), enhances the activity of autophagy-targeting chimeras (AUTAC) by substituting the L-Cysteine (L-Cys) linker with alternative structures. This compound demonstrates degradative activity against EGFP-HaloTag protein through an autophagy mechanism.
Smiles
O=C1N=C(N)NC2=C1N=C(C=3C=NN(C3)CCOCCOCCOCCOCCOCCCCCCCl)N2CC4=CC=C(F)C=C4
Molecular Formula
C31H43ClFN7O6
Molecular Weight
664.17
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2G-HaloAUTAC tt44
CAS Number2241668-58-4
PubChem CID146583333
IUPAC Name2-amino-8-[1-[2-[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrazol-4-yl]-9-[(4-fluorophenyl)methyl]-1H-purin-6-one
Molecular FormulaC31H43ClFN7O6
Molecular Weight664.2
XLogP1.8
Topological Polar Surface Area149
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count24
Heavy Atom Count46
Formal Charge0
Complexity890
SMILES
C1=CC(=CC=C1CN2C3=C(C(=O)NC(=N3)N)N=C2C4=CN(N=C4)CCOCCOCCOCCOCCOCCCCCCCl)F
InChI
InChI=1S/C31H43ClFN7O6/c32-9-3-1-2-4-11-42-13-15-44-17-19-46-20-18-45-16-14-43-12-10-39-23-25(21-35-39)28-36-27-29(37-31(34)38-30(27)41)40(28)22-24-5-7-26(33)8-6-24/h5-8,21,23H,1-4,9-20,22H2,(H3,34,37,38,41)
InChIKey
CRDGQFMDDSPOAP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2G-HaloAUTAC tt44
CAS: 2241668-58-4
CID: 146583333
Formula: C31H43ClFN7O6
MW: 664.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight664.2
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count24
Exact Mass663.2947380
Monoisotopic Mass663.2947380
Topological Polar Surface Area149 Ų
Heavy Atom Count46
Formal Charge0
Complexity890
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T5S1526-01Apigenin-7-O- (2G-rhamnosyl) gentiobioside

Alternative Products

CatalogName
HY-1609022G-HaloAUTAC
HY-129652-01HaloAUTAC tt15
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A10388-2000Fisetin 2g
A10221-2000Cisplatin 2g
A12000-2000Guanosine 2g
HY-163127-01AUTAC2-2G
A10236-2000Clozapine 2g
PPCBRPC120L2000GA2g/6mL
A10292-2000Decitabine 2g

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