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UNC0379 trifluoroacetate salt

SIGMA/SML1465 - ≥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
Linear Formula: C23H35N5O2 · xC2HF3O2
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-SML1465-5MG 5 mg
 $115.00
1/EA		 Add To Favorites
45-SML1465-25MG 25 mg
 $370.00
1/EA		 Add To Favorites

 

assay ≥98% (HPLC)
color white to beige
form powder
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
Quality Level 100 
SMILES string COC1=C(OC)C=C(N=C(N2CCCC2)N=C3NCCCCCN4CCCC4)C3=C1
solubility H2O: 5 mg/mL, clear
storage condition desiccated
storage temp. 2-8°C
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.
Biochem/physiol Actions: 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.
Packaging: 5, 25 mg in glass bottle
RIDADR NONH for all modes of transport
WGK Germany WGK 3
Flash Point(F) Not applicable
Flash Point(C) Not applicable
Purity ≥98% (HPLC)
Storage Temp. 2-8°C
UNSPSC 12352200

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