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SML1465 Sigma-Aldrich

UNC0379 trifluoroacetate salt

≥98% (HPLC)

Synonym: 6,7-Dimethoxy-2-(pyrrolidin-1-yl)-N-(5-(pyrrolidin-1-yl)-pentyl)quinazolin-4-amine trifluoroacetate salt

  • CAS Number 1620401-83-3

  • Empirical Formula (Hill Notation) C23H35N5O2 · xC2HF3O2

  • Molecular Weight 413.56 (free base basis)

  •  MDL number MFCD28167817

  •  PubChem Substance ID 329825899

  •  NACRES NA.77

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Properties

Related Categories Bioactive Small Molecule Alphabetical Index, Bioactive Small Molecules, Cell Biology, Cell Signaling and Neuroscience, DNA-RNA Transcription Regulators,
Quality Level   100
assay   ≥98% (HPLC)
form   powder
storage condition   desiccated
color   white to beige
solubility   H2O: 5 mg/mL, clear
storage temp.   2-8°C
SMILES string   COC1=C(OC)C=C(N=C(N2CCCC2)N=C3NCCCCCN4CCCC4)C3=C1
InChI   1S/C23H35N5O2/c1-29-20-16-18-19(17-21(20)30-2)25-23(28-14-8-9-15-28)26-22(18)24-10-4-3-5-11-27-12-6-7-13-27/h16-17H,3-15H2,1-2H3,(H,24,25,26)
InChI key   WEXCGGWTIDNVNT-UHFFFAOYSA-N

Description

Packaging

5, 25 mg in glass bottle

Biochem/physiol Actions

SETD8 expression is observed in cancers such as bladder cancer, chronic myelogenous leukemia, hepatocellular carcinoma, non‐small‐cell lung carcinoma, prostate cancer, small‐cell lung carcinoma. Therefore inhibition of SETD8 (SET‐domain containing protein) by UNC0379 might prevent the progression of cancer.

UNC0379 is the first substrate-competitive inhibitor of the lysine methyltransferase SETD8, the only known methyltransferase that catalyzes monomethylation of histone H4 lysine 20 (H4K20). HK420 methylation has been implicated in the regulation of a variety of biological processes including the DNA damage response. UNC0379 is selective for SETD8 over 15 other methyltransferases, with an IC50 value of 7.3 μM for SETD8 compared to IC50 vlaues over 100 μM for other methyltransferases.

Safety & Documentation

Safety Information

RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 3
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable

Documents

Certificate of Analysis (COA)

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Protocols & Articles
Peer-Reviewed Papers
15

References

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