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PROTAC Bcl2 degrader-1

CAT: 0931-T10485-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T10485-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2378801-85-3
Target
Bcl-2 Family, PROTACs
Related Pathways
PROTAC, Apoptosis
Bioactivity
PROTAC Bcl2 degrader-1 is a PROTAC, which potently and selectively induces the degradation of Mcl-1 (IC50: 11.81 μM) and Bcl-2 (IC50: 4.94 μM; DC50: 3.0 μM) .
Smiles
O=C1NC(=O)C(N2C(=O)C=3C=CC=C(NCCOCCOCCNC(=O)CCCCC(=O)NCCN4C(=O)C5=CC=CC=6C(SC7=CC=C(Br)C=C7)=CC=C(C4=O)C56)C3C2=O)CC1
Molecular Formula
C45H45BrN6O10S
Molecular Weight
941.84
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

PROTAC Bcl2 degrader-1
CAS Number2378801-85-3
PubChem CID139035047
IUPAC NameN-[2-[6-(4-bromophenyl)sulfanyl-1,3-dioxobenzo[de]isoquinolin-2-yl]ethyl]-N'-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]hexanediamide
Molecular FormulaC45H45BrN6O10S
Molecular Weight941.8
XLogP4.3
Topological Polar Surface Area235
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count21
Heavy Atom Count63
Formal Charge0
Complexity1700
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCOCCOCCNC(=O)CCCCC(=O)NCCN4C(=O)C5=C6C(=C(C=C5)SC7=CC=C(C=C7)Br)C=CC=C6C4=O
InChI
InChI=1S/C45H45BrN6O10S/c46-27-11-13-28(14-12-27)63-35-17-15-32-39-29(35)5-3-6-30(39)42(57)51(43(32)58)22-19-48-36(53)9-1-2-10-37(54)49-21-24-62-26-25-61-23-20-47-33-8-4-7-31-40(33)45(60)52(44(31)59)34-16-18-38(55)50-41(34)56/h3-8,11-15,17,34,47H,1-2,9-10,16,18-26H2,(H,48,53)(H,49,54)(H,50,55,56)
InChIKey
IUSLKFLLLNNOGR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PROTAC Bcl2 degrader-1
CAS: 2378801-85-3
CID: 139035047
Formula: C45H45BrN6O10S
MW: 941.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight941.8
XLogP34.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count21
Exact Mass940.21013
Monoisotopic Mass940.21013
Topological Polar Surface Area235 Ų
Heavy Atom Count63
Formal Charge0
Complexity1700
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
DVD80185-01Protac bcl2 degrader-1
A18355-50PROTAC Bcl2 degrader-1 50mg
A18355-10PROTAC Bcl2 degrader-1 10mg
A18355-5PROTAC Bcl2 degrader-1 5mg
A18355-1PROTAC Bcl2 degrader-1 1mg
HY-178034PROTAC OSBP Degrader-1
HY-176857-01PROTAC STAT6 degrader-1
HY-175830PROTAC AURKA degrader 1
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