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PROTAC LZK-IN-1

CAT: 0013-GTR19250295-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19250295-01Size:50 mg
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Description
PROTAC LZK-IN-1 (Compound 21A) is a degrader of leucine zipper kinase (LZK/MAP3K13) . At 10 μM, it reduces LZK levels, downregulates p53 and c-Myc expression, and decreases viability in head and neck squamous cell carcinoma (HNSCC) cell lines, supporting its use in oncology research for in vitro mechanistic studies.
CAS Number
2763268-64-8
Field of Research
Cell Biology, Pharmacology & Drug Discovery, Signal Transduction
Smiles
C ([C@@H] (NC (CCCCCCC (=O) N1CCC (CC1) C=2C=C (N=C (NC3=CC (C#N) =CC=N3) C2) N4CCC (F) (F) C4) =O) C (C) (C) C) (=O) N5[C@H] (C (N[C@@H] (C) C6=CC=C (C=C6) C7=C (C) N=CS7) =O) C[C@@H] (O) C5
Molecular Formula
C51H64F2N10O5S
Molecular Weight
967.18
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Protac lzk-IN-1
CAS Number2763268-64-8
PubChem CID162747707
IUPAC Name(2S,4R)-1-[(2S)-2-[[8-[4-[2-[(4-cyano-2-pyridinyl)amino]-6-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]piperidin-1-yl]-8-oxooctanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
Molecular FormulaC51H64F2N10O5S
Molecular Weight967.2
XLogP7.2
Topological Polar Surface Area225
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count18
Heavy Atom Count69
Formal Charge0
Complexity1790
SMILES
CC1=C(SC=N1)C2=CC=C(C=C2)[C@H](C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCCCCCC(=O)N4CCC(CC4)C5=CC(=NC(=C5)N6CCC(C6)(F)F)NC7=NC=CC(=C7)C#N)O
InChI
InChI=1S/C51H64F2N10O5S/c1-32(35-12-14-37(15-13-35)46-33(2)56-31-69-46)57-48(67)40-27-39(64)29-63(40)49(68)47(50(3,4)5)60-44(65)10-8-6-7-9-11-45(66)61-21-17-36(18-22-61)38-25-42(58-41-24-34(28-54)16-20-55-41)59-43(26-38)62-23-19-51(52,53)30-62/h12-16,20,24-26,31-32,36,39-40,47,64H,6-11,17-19,21-23,27,29-30H2,1-5H3,(H,57,67)(H,60,65)(H,55,58,59)/t32-,39+,40-,47+/m0/s1
InChIKey
NNOXSMGLIYXSCU-OMSCPKDKSA-N
Chemical Structure
2D Structure
2D structure of Protac lzk-IN-1
CAS: 2763268-64-8
CID: 162747707
Formula: C51H64F2N10O5S
MW: 967.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight967.2
XLogP37.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count18
Exact Mass966.47499268
Monoisotopic Mass966.47499268
Topological Polar Surface Area225 Ų
Heavy Atom Count69
Formal Charge0
Complexity1790
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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