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PROTAC BTK Degrader-11

CAT: 0804-HY-159947Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-159947Size:1 Each
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PROTAC BTK Degrader-11 is a PROTAC degrader that can break down BTK, with a DC50 of 1.7 nM. PROTAC BTK Degrader-11 can be used in cancer research. (Pink: target protein ligand ; Black: linker; Blue: E3 ligase (HY-150839) ).
CAS Number
2736508-94-2
UNSPSC
12352005
Target
Btk; PROTACs
Type
Reference compound
Related Pathways
PROTAC; Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/protac-btk-degrader-11.html
Smiles
CC1=C([C@@H](C)NC(C2=NC(C(C)(C)C)=NO2)=O)C=CC(C3=C4C(NC(C5=CN=C(N6CCN(CC6)CC7CCN(C8=CC=C(C9C(NC(CC9)=O)=O)C=C8)CC7)C=C5)=C4)=NC=N3)=C1
Molecular Formula
C48H55N11O4
Molecular Weight
850.02
References & Citations
[1]Haitao Wang, et al. BGB-16673, A BTK Degrader, Overcomes On-Target Resistance From BTK Inhibitors And Present. FRANKFURT VIRTUAL. 2023. P1219.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

PROTAC BTK Degrader-11
CAS Number2736508-94-2
PubChem CID166522043
IUPAC Name3-tert-butyl-N-[(1R)-1-[4-[6-[6-[4-[[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-5-carboxamide
Molecular FormulaC48H55N11O4
Molecular Weight850.0
XLogP6.6
Topological Polar Surface Area178
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count11
Heavy Atom Count63
Formal Charge0
Complexity1560
SMILES
CC1=C(C=CC(=C1)C2=C3C=C(NC3=NC=N2)C4=CN=C(C=C4)N5CCN(CC5)CC6CCN(CC6)C7=CC=C(C=C7)C8CCC(=O)NC8=O)[C@@H](C)NC(=O)C9=NC(=NO9)C(C)(C)C
InChI
InChI=1S/C48H55N11O4/c1-29-24-33(8-12-36(29)30(2)52-45(62)46-55-47(56-63-46)48(3,4)5)42-38-25-39(53-43(38)51-28-50-42)34-9-14-40(49-26-34)59-22-20-57(21-23-59)27-31-16-18-58(19-17-31)35-10-6-32(7-11-35)37-13-15-41(60)54-44(37)61/h6-12,14,24-26,28,30-31,37H,13,15-23,27H2,1-5H3,(H,52,62)(H,50,51,53)(H,54,60,61)/t30-,37?/m1/s1
InChIKey
UZDXDTMDMLTEJR-XNAWBMTISA-N
Chemical Structure
2D Structure
2D structure of PROTAC BTK Degrader-11
CAS: 2736508-94-2
CID: 166522043
Formula: C48H55N11O4
MW: 850.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight850.0
XLogP36.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count11
Exact Mass849.44384928
Monoisotopic Mass849.44384928
Topological Polar Surface Area178 Ų
Heavy Atom Count63
Formal Charge0
Complexity1560
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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