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BSJ-04-132

CAT: 0804-HY-136252-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-136252-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BSJ-04-132 is a PROTAC connected by ligands for Cereblon and CDK. BSJ-04-132 is a potent and selective Ribociclib-based CDK4 degrader (PROTAC), with IC50s of 50.6 nM and 30 nM for CDK4/D1 and CDK6/D1, respectively. BSJ-04-132 does not induce CDK6 and IKZF1/3 degradation. BSJ-04-132 has anti-cancer activity[1].
CAS Number
2349356-39-2
UNSPSC
12352005
Target
CDK; PROTACs
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; PROTAC
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/bsj-04-132.html
Purity
99.07
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(C1=CC2=CN=C(NC3=NC=C(N4CCN(CCCCNC(COC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)CC4)C=C3)N=C2N1C8CCCC8)N(C)C
Molecular Formula
C42H49N11O7
Molecular Weight
819.91
References & Citations
[1]Baishan Jiang, et al. Development of Dual and Selective Degraders of Cyclin-Dependent Kinases 4 and 6. Angew Chem Int Ed Engl. 2019 May 6;58 (19) :6321-6326.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
CDK4; CDK6

Chemical Information

7-cyclopentyl-2-((5-(4-(4-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)oxy)acetamido)butyl)piperazin-1-yl)pyridin-2-yl)amino)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
CAS Number2349356-39-2
PubChem CID139593562
IUPAC Name7-cyclopentyl-2-[[5-[4-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
Molecular FormulaC42H49N11O7
Molecular Weight819.9
XLogP2.6
Topological Polar Surface Area204
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count14
Heavy Atom Count60
Formal Charge0
Complexity1590
SMILES
CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCN(CC5)CCCCNC(=O)COC6=CC=CC7=C6C(=O)N(C7=O)C8CCC(=O)NC8=O
InChI
InChI=1S/C42H49N11O7/c1-49(2)40(58)31-22-26-23-45-42(48-37(26)52(31)27-8-3-4-9-27)46-33-14-12-28(24-44-33)51-20-18-50(19-21-51)17-6-5-16-43-35(55)25-60-32-11-7-10-29-36(32)41(59)53(39(29)57)30-13-15-34(54)47-38(30)56/h7,10-12,14,22-24,27,30H,3-6,8-9,13,15-21,25H2,1-2H3,(H,43,55)(H,47,54,56)(H,44,45,46,48)
InChIKey
GWLSXEHHNOBFOI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-cyclopentyl-2-((5-(4-(4-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)oxy)acetamido)butyl)piperazin-1-yl)pyridin-2-yl)amino)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
CAS: 2349356-39-2
CID: 139593562
Formula: C42H49N11O7
MW: 819.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight819.9
XLogP32.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count14
Exact Mass819.38164294
Monoisotopic Mass819.38164294
Topological Polar Surface Area204 Ų
Heavy Atom Count60
Formal Charge0
Complexity1590
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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