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PROTAC RIPK degrader-6

CAT: 0804-HY-111870-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-111870-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PROTAC RIPK degrader-6 (example 1) is a Cereblon-based PROTAC targeting RIP Kinase degradation wherein the RIP2 kinase inhibitor is linked via a linker to a cereblon binder[1].
CAS Number
2089205-64-9
UNSPSC
12352005
Hazard Statement
H315, H319, H320
Target
PROTACs; RIP kinase
Type
Reference compound
Related Pathways
Apoptosis; PROTAC
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/protac-ripk-degrader-6.html
Purity
99.01
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=S(C(C(OCCOCCOCCOCCOCC(NC1=C(CN(C2C(NC(CC2)=O)=O)C3=O)C3=CC=C1)=O)=C4)=CC(C4=NC=C5)=C5NC6=CC(N=CS7)=C7C=C6)(C(C)(C)C)=O
Molecular Formula
C43H48N6O11S2
Molecular Weight
889.00
Precautions
H315, H319, H320
References & Citations
[1]John David Harlin, et al. Compounds for the modulation of rip2 kinase activity. WO2017046036A1.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Cereblon

Chemical Information

PROTAC RIPK degrader-6
CAS Number2089205-64-9
PubChem CID126696039
IUPAC Name2-[2-[2-[2-[2-[4-(1,3-benzothiazol-5-ylamino)-6-tert-butylsulfonylquinolin-7-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide
Molecular FormulaC43H48N6O11S2
Molecular Weight889.0
XLogP3
Topological Polar Surface Area250
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count15
Rotatable Bond Count21
Heavy Atom Count62
Formal Charge0
Complexity1650
SMILES
CC(C)(C)S(=O)(=O)C1=CC2=C(C=CN=C2C=C1OCCOCCOCCOCCOCC(=O)NC3=CC=CC4=C3CN(C4=O)C5CCC(=O)NC5=O)NC6=CC7=C(C=C6)SC=N7
InChI
InChI=1S/C43H48N6O11S2/c1-43(2,3)62(54,55)38-22-29-32(46-27-7-9-37-34(21-27)45-26-61-37)11-12-44-33(29)23-36(38)60-20-19-58-16-15-56-13-14-57-17-18-59-25-40(51)47-31-6-4-5-28-30(31)24-49(42(28)53)35-8-10-39(50)48-41(35)52/h4-7,9,11-12,21-23,26,35H,8,10,13-20,24-25H2,1-3H3,(H,44,46)(H,47,51)(H,48,50,52)
InChIKey
BRZGXSNAXRPPFI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PROTAC RIPK degrader-6
CAS: 2089205-64-9
CID: 126696039
Formula: C43H48N6O11S2
MW: 889.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight889.0
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count15
Rotatable Bond Count21
Exact Mass888.28224872
Monoisotopic Mass888.28224872
Topological Polar Surface Area250 Ų
Heavy Atom Count62
Formal Charge0
Complexity1650
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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Alternative Products

CatalogName
PID20564-01Protac ripk degrader-6
T13846-01PROTAC RIPK degrader-2
A23956-50PROTAC RIPK degrader-2 50mg
A23956-100PROTAC RIPK degrader-2 100mg
A23956-10PROTAC RIPK degrader-2 10mg
A23956-5PROTAC RIPK degrader-2 5mg
T74852-01PROTAC CDK9 degrader-6
MBS5815993PROTAC BRD4 Degrader-6
GTR19263486-01PROTAC HDAC6 degrader 6
T200423-01PROTAC SMARCA2 degrader-6

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