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PROTAC HER2 degrader-1

CAT: 0804-HY-177008-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-177008-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PROTAC HER2 degrader-1 is a highly selective HER2 PROTAC degrader, with a DC50 of 69 nM and a Dmax of 96%. PROTAC HER2 degrader-1 inhibits HER2-positive cell proliferation and tumor growth through persistent HER2 degradation and potent inhibition of downstream pathways (AKT and ERK). PROTAC HER2 degrader-1 induces apoptosis in BT-474 cells. PROTAC HER2 degrader-1 can be used for research of HER2-positive cancers. (Pink: HER2 ligand: ; Black: Linker; Blue: CRBN ligand: (HY-W023573).
CAS Number
2897640-93-4
UNSPSC
12352005
Target
Akt; Apoptosis; EGFR; ERK; PROTACs
Related Pathways
Apoptosis; JAK/STAT Signaling; MAPK/ERK Pathway; PI3K/Akt/mTOR; PROTAC; Protein Tyrosine Kinase/RTK; Stem Cell/Wnt
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Purity
98.0
Smiles
O=C1C2=CC=C(NCCCCCCCN3CCN(CCCOC4=CC5=NC=NC(NC6=CC=C(C(C)=C6)OC7=CC8=NC=NN8C=C7)=C5C=C4OC)CC3)C=C2C(N1C9C(NC(CC9)=O)=O)=O
Molecular Formula
C49H55N11O7
Molecular Weight
910.03
References & Citations
[1]Hu M, et al. Discovery of potent and selective HER2 PROTAC degrader based Tucatinib with improved efficacy against HER2 positive cancers. Eur J Med Chem. 2022 Dec 15;244:114775.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Cereblon; ErbB2/HER2

Chemical Information

PROTAC HER2 degrader-1
CAS Number2897640-93-4
PubChem CID172005903
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-[7-[4-[3-[6-methoxy-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-7-yl]oxypropyl]piperazin-1-yl]heptylamino]isoindole-1,3-dione
Molecular FormulaC49H55N11O7
Molecular Weight910.0
XLogP6.1
Topological Polar Surface Area198
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count15
Rotatable Bond Count20
Heavy Atom Count67
Formal Charge0
Complexity1660
SMILES
CC1=C(C=CC(=C1)NC2=NC=NC3=CC(=C(C=C32)OC)OCCCN4CCN(CC4)CCCCCCCNC5=CC6=C(C=C5)C(=O)N(C6=O)C7CCC(=O)NC7=O)OC8=CC9=NC=NN9C=C8
InChI
InChI=1S/C49H55N11O7/c1-32-25-34(10-13-41(32)67-35-15-19-59-44(27-35)52-31-54-59)55-46-38-28-42(65-2)43(29-39(38)51-30-53-46)66-24-8-18-58-22-20-57(21-23-58)17-7-5-3-4-6-16-50-33-9-11-36-37(26-33)49(64)60(48(36)63)40-12-14-45(61)56-47(40)62/h9-11,13,15,19,25-31,40,50H,3-8,12,14,16-18,20-24H2,1-2H3,(H,51,53,55)(H,56,61,62)
InChIKey
IQCKLHMMRZVWLF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PROTAC HER2 degrader-1
CAS: 2897640-93-4
CID: 172005903
Formula: C49H55N11O7
MW: 910.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight910.0
XLogP36.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count15
Rotatable Bond Count20
Exact Mass909.42859314
Monoisotopic Mass909.42859314
Topological Polar Surface Area198 Ų
Heavy Atom Count67
Formal Charge0
Complexity1660
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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