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DCeMM2

CAT: 0013-GTR19187066-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19187066-05Size:25 mg
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Description
DCeMM2 is a molecular glue degrader that induces the interaction of CDK12-cyclin K with the CRL4B E3 ligase, resulting in the ubiquitination and proteasomal degradation of cyclin K. This mechanism enables the study of transcription and DNA damage response pathways in both cellular and in vivo research models.
CAS Number
296771-07-8
Product Name Alternative
MolecularGlues, Molecular Glues
Field of Research
Cell Biology, Pharmacology & Drug Discovery
Purity
99.68% (May vary between batches)
Solubility
DMSO:16.7 mg/mL (45.04 mM) ;10% DMSO+90% Corn Oil:1.5 mg/mL (4.05 mM)
Smiles
Clc1ccc (NC (=O) CSc2nnc3c (n2) [nH]c2ccccc32) nc1
Molecular Formula
C16H11ClN6OS
Molecular Weight
370.82
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

dCeMM2

DCeMM2 (Compound 2) is a glue degrader. dCeMM2 induces ubiquitination and degradation of cyclin K by prompting an interaction of CDK12-cyclin K with a CRL4B ligase complex[1].

CAS Number296771-07-8
PubChem CID5286209
IUPAC NameN-(5-chloro-2-pyridinyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
Molecular FormulaC16H11ClN6OS
Molecular Weight370.8
XLogP2.7
Topological Polar Surface Area122
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity486
SMILES
C1=CC=C2C(=C1)C3=C(N2)N=C(N=N3)SCC(=O)NC4=NC=C(C=C4)Cl
InChI
InChI=1S/C16H11ClN6OS/c17-9-5-6-12(18-7-9)20-13(24)8-25-16-21-15-14(22-23-16)10-3-1-2-4-11(10)19-15/h1-7H,8H2,(H,18,20,24)(H,19,21,23)
InChIKey
VFWVTIHYVUKNGR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of dCeMM2
CAS: 296771-07-8
CID: 5286209
Formula: C16H11ClN6OS
MW: 370.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.8
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass370.0403579
Monoisotopic Mass370.0403579
Topological Polar Surface Area122 Ų
Heavy Atom Count25
Formal Charge0
Complexity486
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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