SML1465

UNC0379 trifluoroacetate salt

≥98% (HPLC)

• Synonym(s): 6,7-Dimethoxy-2-(pyrrolidin-1-yl)-N-(5-(pyrrolidin-1-yl)-pentyl)quinazolin-4-amine trifluoroacetate salt
• Empirical Formula (Hill Notation): C₂₃H₃₅N₅O₂ · xC₂HF₃O₂
• CAS Number: 1620401-83-3
• Molecular Weight: 413.56 (free base basis)
• MDL number: MFCD28167817
• UNSPSC Code: 12352200
• PubChem Substance ID: 329825899
• NACRES: NA.77

Properties

• 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

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 Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable