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SR-1114

CAT: 0931-T81108-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T81108-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2769141-82-2
Target
PROTACs
Related Pathways
PROTAC
Bioactivity
SR-1114, a first-in-class PROTAC ENL degrader, induces rapid CRBN-dependent ENL degradation with DC50 values of 150 nM in MV4;11 cells, 311 nM in MOLM-13 cells, and 1.65 μM in OCI/AML-2 cells [1].
Smiles
O=C(NC1CCC1)C=2C=CC3=NC(=CN3C2)C=4C=CC=C(C4)NS(=O)(=O)NCCOCCOCCNC(=O)COC5=CC=CC=6C(=O)N(C(=O)C56)C7C(=O)NC(=O)CC7
Molecular Formula
C39H42N8O11S
Molecular Weight
830.86
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 155925846
CAS Number2769141-82-2
PubChem CID155925846
IUPAC NameN-cyclobutyl-2-[3-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethylsulfamoylamino]phenyl]imidazo[1,2-a]pyridine-6-carboxamide
Molecular FormulaC39H42N8O11S
Molecular Weight830.9
XLogP1.2
Topological Polar Surface Area253
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count14
Rotatable Bond Count19
Heavy Atom Count59
Formal Charge0
Complexity1660
SMILES
C1CC(C1)NC(=O)C2=CN3C=C(N=C3C=C2)C4=CC(=CC=C4)NS(=O)(=O)NCCOCCOCCNC(=O)COC5=CC=CC6=C5C(=O)N(C6=O)C7CCC(=O)NC7=O
InChI
InChI=1S/C39H42N8O11S/c48-33-13-11-30(37(51)44-33)47-38(52)28-8-3-9-31(35(28)39(47)53)58-23-34(49)40-14-16-56-18-19-57-17-15-41-59(54,55)45-27-7-1-4-24(20-27)29-22-46-21-25(10-12-32(46)43-29)36(50)42-26-5-2-6-26/h1,3-4,7-10,12,20-22,26,30,41,45H,2,5-6,11,13-19,23H2,(H,40,49)(H,42,50)(H,44,48,51)
InChIKey
WPVVPCVQEBQVLL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 155925846
CAS: 2769141-82-2
CID: 155925846
Formula: C39H42N8O11S
MW: 830.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight830.9
XLogP31.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count14
Rotatable Bond Count19
Exact Mass830.26937536
Monoisotopic Mass830.26937536
Topological Polar Surface Area253 Ų
Heavy Atom Count59
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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