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DCeMM2

CAT: 0804-HY-144971-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-144971-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DCeMM2 (Compound 2) is a molecular glue-type degrader that targets cyclin K. dCeMM2 induces ubiquitination and degradation of cyclin K by prompting an interaction of CDK12-cyclin K with a CRL4B ligase complex[1][2][3].
CAS Number
296771-07-8
UNSPSC
12352005
Hazard Statement
H302, H315, H319
Target
CDK; Molecular Glues
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; PROTAC
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/dcemm2.html
Purity
99.25
Solubility
DMSO : 41.67 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C(NC1=NC=C(Cl)C=C1)CSC2=NN=C3C(NC4=C3C=CC=C4)=N2
Molecular Formula
C16H11ClN6OS
Molecular Weight
370.82
Precautions
H302, H315, H319
References & Citations
[1]Mayor-Ruiz C, et al. Rational discovery of molecular glue degraders via scalable chemical profiling [published correction appears in Nat Chem Biol. 2021 Mar;17 (3) :361]. Nat Chem Biol. 2020;16 (11) :1199-1207.|[2]Jochem M, et al. Degradome analysis to identify direct protein substrates of small-molecule degraders[J]. bioRxiv, 2024: 2024.01. 28.577572.|[3]Dong G, et al. Molecular Glues for Targeted Protein Degradation: From Serendipity to Rational Discovery. J Med Chem. 2021 Aug 12;64 (15) :10606-10620.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

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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