Products for Research Use Only

HL-8

CAT: 0013-GTR19221382-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19221382-02Size:50 mg
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Description
HL-8 is a potent PROTAC that induces complete degradation of PI3K at 10 μM within 8 hours. This mechanism demonstrates utility for probing PI3K-dependent signaling pathways in cancer research, supporting both in vitro cellular studies and in vivo preclinical investigations.
CAS Number
2766352-64-9
Field of Research
Signal Transduction
Smiles
COc1ncc (cc1NS (=O) (=O) c1ccc (F) cc1F) -c1ccc2ncc (-c3nnc (o3) -c3ccccc3C (=O) NCCCCCCC (=O) N[C@H] (C (=O) N3C[C@@H] (O) C[C@@H]3C (=O) NCc3ccc (cc3) -c3scnc3C) C (C) (C) C) n2c1
Molecular Formula
C57H59F2N11O9S2
Molecular Weight
1144.27
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2R,4S)-1-[(2S)-2-[7-[[2-[5-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]benzoyl]amino]heptanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CAS Number2766352-64-9
PubChem CID163408778
IUPAC Name(2R,4S)-1-[(2S)-2-[7-[[2-[5-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]benzoyl]amino]heptanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
Molecular FormulaC57H59F2N11O9S2
Molecular Weight1144.3
XLogP7.4
Topological Polar Surface Area302
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count18
Rotatable Bond Count22
Heavy Atom Count81
Formal Charge0
Complexity2210
SMILES
CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@H]3C[C@@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCCCCCNC(=O)C4=CC=CC=C4C5=NN=C(O5)C6=CN=C7N6C=C(C=C7)C8=CC(=C(N=C8)OC)NS(=O)(=O)C9=C(C=C(C=C9)F)F)O
InChI
InChI=1S/C57H59F2N11O9S2/c1-33-49(80-32-64-33)35-17-15-34(16-18-35)27-62-52(74)44-26-39(71)31-70(44)56(75)50(57(2,3)4)65-48(72)14-8-6-7-11-23-60-51(73)40-12-9-10-13-41(40)53-66-67-55(79-53)45-29-61-47-22-19-36(30-69(45)47)37-24-43(54(78-5)63-28-37)68-81(76,77)46-21-20-38(58)25-42(46)59/h9-10,12-13,15-22,24-25,28-30,32,39,44,50,68,71H,6-8,11,14,23,26-27,31H2,1-5H3,(H,60,73)(H,62,74)(H,65,72)/t39-,44+,50+/m0/s1
InChIKey
ACMMTSCGBPIHNT-RMNSFAHDSA-N
Chemical Structure
2D Structure
2D structure of (2R,4S)-1-[(2S)-2-[7-[[2-[5-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]benzoyl]amino]heptanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CAS: 2766352-64-9
CID: 163408778
Formula: C57H59F2N11O9S2
MW: 1144.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight1144.3
XLogP37.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count18
Rotatable Bond Count22
Exact Mass1143.39067117
Monoisotopic Mass1143.39067117
Topological Polar Surface Area302 Ų
Heavy Atom Count81
Formal Charge0
Complexity2210
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes