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SML2990

Sigma-Aldrich

dCeMM2

≥98% (HPLC)

Synonym(s):

2-((5H-[1,2,4]Triazino[5,6-b]indol-3-yl)thio)-N-(5-chloropyridin-2-yl)acetamide, N-(5-Chloro-2-pyridinyl)-2-(5H-1,2,4-triazino[5,6-b]indol-3-ylthio)acetamide

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About This Item

Empirical Formula (Hill Notation):
C16H11ClN6OS
CAS Number:
296771-07-8
Molecular Weight:
370.82
UNSPSC Code:
12352200
NACRES:
NA.77
Pricing and availability is not currently available.

Quality Level

100

Assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

2-8°C

SMILES string

O=C(NC1=NC=C(Cl)C=C1)CSC2=NC3=C(C4=C(N3)C=CC=C4)N=N2

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)

InChI key

VFWVTIHYVUKNGR-UHFFFAOYSA-N

Biochem/physiol Actions

cell penetrant molecular glue degrader that induce ubiquitination and degradation of cyclin K by inciting an interaction of CDK12–cyclin K with a CRL4B ligase
dCeMM2 is a cell penetrant molecular glue degrader that induce ubiquitination and degradation of cyclin K by inciting an interaction of CDK12–cyclin K with a CRL4B ligase complex. dCeMM2 induced proximity between CDK12–cyclin K and the CRL complex adaptor protein DDB1 that causes ubiquitination and proteasomal degradation of cyclin K.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
0000124808
0000124809
0000121480

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Cristina Mayor-Ruiz et al.
Nature chemical biology, 16(11), 1199-1207 (2020-08-05)
Targeted protein degradation is a new therapeutic modality based on drugs that destabilize proteins by inducing their proximity to E3 ubiquitin ligases. Of particular interest are molecular glues that can degrade otherwise unligandable proteins by orchestrating direct interactions between target

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