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SJF620 (hydrochloride)

CAT: 0804-HY-133137A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-133137A-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SJF620 hydrochloride is a PROTAC connected by ligands for Cereblon and Btk with a DC50 of 7.9 nM. SJF620 contains a Lenalidomide analog for recruiting CRBN[1].
CAS Number
2821938-05-8
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/sjf620-hydrochloride.html
Purity
99.28
Solubility
10 mM in DMSO
Smiles
O=C(N1)C(CCC1=O)N(C2=O)CC3=C2C=CC(OCCOCCOCCN4CCC(CC4)N5N=C(C6=C(N)N=CN=C65)C7=CC=C(C=C7)OC8=CC=CC=C8)=C3.[H]Cl
Molecular Formula
C41H45ClN8O7
Molecular Weight
797.30
References & Citations
[1]Jaime-Figueroa S, et al. Design, synthesis and biological evaluation of Proteolysis Targeting Chimeras (PROTACs) as a BTK degraders with improved pharmacokinetic properties. 2020 Feb 1;30 (3) :126877.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, protect from light, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Cereblon

Chemical Information

SJF620 hydrochloride
CAS Number2821938-05-8
PubChem CID155971233
IUPAC Name3-[6-[2-[2-[2-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]ethoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride
Molecular FormulaC41H45ClN8O7
Molecular Weight797.3
Topological Polar Surface Area176
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count15
Heavy Atom Count57
Formal Charge0
Complexity1310
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC(=C3)OCCOCCOCCN4CCC(CC4)N5C6=NC=NC(=C6C(=N5)C7=CC=C(C=C7)OC8=CC=CC=C8)N.Cl
InChI
InChI=1S/C41H44N8O7.ClH/c42-38-36-37(27-6-8-31(9-7-27)56-30-4-2-1-3-5-30)46-49(39(36)44-26-43-38)29-14-16-47(17-15-29)18-19-53-20-21-54-22-23-55-32-10-11-33-28(24-32)25-48(41(33)52)34-12-13-35(50)45-40(34)51;/h1-11,24,26,29,34H,12-23,25H2,(H2,42,43,44)(H,45,50,51);1H
InChIKey
RLEKBKXQGCJLQZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SJF620 hydrochloride
CAS: 2821938-05-8
CID: 155971233
Formula: C41H45ClN8O7
MW: 797.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight797.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count15
Exact Mass796.3099735
Monoisotopic Mass796.3099735
Topological Polar Surface Area176 Ų
Heavy Atom Count57
Formal Charge0
Complexity1310
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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