UNC0379 trifluoroacetate salt
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MedKoo CAT#: 573451

CAS#: 1620401-83-3 (trifluoroacetate)

Description: UNC0379 trifluoroacetate salt is a 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.

Chemical Structure

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UNC0379 trifluoroacetate salt
CAS# 1620401-83-3 (trifluoroacetate)
Instruction

Theoretical Analysis

MedKoo Cat#: 573451
Name: UNC0379 trifluoroacetate salt
CAS#: 1620401-83-3 (trifluoroacetate)
Chemical Formula: C25H36F3N5O4
Exact Mass: 527.27
Molecular Weight: 527.590
Elemental Analysis: C, 56.91; H, 6.88; F, 10.80; N, 13.27; O, 12.13

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Related CAS #: 1620401-83-3 (trifluoroacetate)   1620401-82-2 (free base)  

Synonym: UNC0379 trifluoroacetate salt, UNC 0379 trifluoroacetate salt; UNC-0379 trifluoroacetate salt

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

InChi Key: NRGGPYZTHNAVFM-UHFFFAOYSA-N

InChi Code: InChI=1S/C23H35N5O2.C2HF3O2/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;3-2(4,5)1(6)7/h16-17H,3-15H2,1-2H3,(H,24,25,26);(H,6,7)

SMILES Code: COC1=CC2=NC(N3CCCC3)=NC(NCCCCCN4CCCC4)=C2C=C1OC.O=C(O)C(F)(F)F

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >3 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 527.59 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
In vitro protocol:
In vivo protocol:

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