UNC0646 | CAS#1320288-17-2 | Methyltransferase Inhibitor

MedKoo Cat#: 406253 | Name: UNC0646

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Description:

WARNING: This product is for research use only, not for human or veterinary use.

UNC-0646 is a novel G9a inhibitor with excellent potency in a variety of cell lines and excellent separation of functional potency versus cell toxicity. Protein lysine methyltransferase G9a plays key roles in the transcriptional repression of a variety of genes via dimethylation of lysine 9 on histone H3 (H3K9me2) of chromatin as well as dimethylation of nonhistone proteins including tumor suppressor p53.

Chemical Structure

UNC0646

CAS#1320288-17-2

Theoretical Analysis

MedKoo Cat#: 406253

Name: UNC0646

CAS#: 1320288-17-2

Chemical Formula: C36H59N7O2

Exact Mass: 621.4730

Molecular Weight: 621.90

Elemental Analysis: C, 69.53; H, 9.56; N, 15.77; O, 5.15

Price and Availability

Size	Price	Availability	Quantity
5mg	USD 400.00
10mg	USD 650.00
50mg	USD 1,400.00

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Related CAS #

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Synonym

UNC0646, UNC 0646, UNC-0646

IUPAC/Chemical Name

N-(1-cyclohexylpiperidin-4-yl)-2-(4-isopropyl-1,4-diazepan-1-yl)-6-methoxy-7-(3-(piperidin-1-yl)propoxy)quinazolin-4-amine

InChi Key

OUKWLRHRXOPODD-UHFFFAOYSA-N

InChi Code

InChI=1S/C36H59N7O2/c1-28(2)41-19-10-20-43(24-23-41)36-38-32-27-34(45-25-11-18-40-16-8-5-9-17-40)33(44-3)26-31(32)35(39-36)37-29-14-21-42(22-15-29)30-12-6-4-7-13-30/h26-30H,4-25H2,1-3H3,(H,37,38,39)

SMILES Code

COC1=CC2=C(NC3CCN(C4CCCCC4)CC3)N=C(N5CCN(C(C)C)CCC5)N=C2C=C1OCCCN6CCCCC6

Appearance

White to off-white 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, not in water

Shelf Life

>5 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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 621.90 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.

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

1: Kaiser J, Gertzen CGW, Bernauer T, Nitsche V, Höfner G, Niessen KV, Seeger T, Paintner FF, Wanner KT, Steinritz D, Worek F, Gohlke H. Identification of ligands binding to MB327-PAM-1, a binding pocket relevant for resensitization of nAChRs. Toxicol Lett. 2024 Jul;398:91-104. doi: 10.1016/j.toxlet.2024.05.013. Epub 2024 May 18. PMID: 38768836. 2: Filiú-Braga LDC, Silva-Carvalho AÉ, Sousa MRR, Carvalho JL, Saldanha-Araujo F. Molecular and functional anticancer effects of GLP/G9a inhibition by UNC0646 in MeWo melanoma cells. Heliyon. 2024 Feb 24;10(5):e27085. doi: 10.1016/j.heliyon.2024.e27085. PMID: 38434406; PMCID: PMC10907798. 3: Sichler S, Höfner G, Nitsche V, Niessen KV, Seeger T, Worek F, Paintner FF, Wanner KT. Screening for new ligands of the MB327-PAM-1 binding site of the nicotinic acetylcholine receptor. Toxicol Lett. 2024 Apr;394:23-31. doi: 10.1016/j.toxlet.2024.02.004. Epub 2024 Feb 20. PMID: 38387764. 4: Nitsche V, Höfner G, Kaiser J, Gertzen CGW, Seeger T, Niessen KV, Steinritz D, Worek F, Gohlke H, Paintner FF, Wanner KT. MS Binding Assays with UNC0642 as reporter ligand for the MB327 binding site of the nicotinic acetylcholine receptor. Toxicol Lett. 2024 Feb;392:94-106. doi: 10.1016/j.toxlet.2024.01.003. Epub 2024 Jan 10. PMID: 38216073. 5: Quintela M, James DW, Garcia J, Edwards K, Margarit L, Das N, Lutchman-Singh K, Beynon AL, Rioja I, Prinjha RK, Harker NR, Gonzalez D, Steven Conlan R, Francis LW. In silico enhancer mining reveals SNS-032 and EHMT2 inhibitors as therapeutic candidates in high-grade serous ovarian cancer. Br J Cancer. 2023 Jul;129(1):163-174. doi: 10.1038/s41416-023-02274-2. Epub 2023 Apr 29. PMID: 37120667; PMCID: PMC10307814. 6: Silva-Carvalho AÉ, Alencar APD, Resende MR, da Costa DF, Nonino A, Neves FAR, Saldanha-Araujo F. Epigenetic priming by EHMT1/EHMT2 in acute lymphoblastic leukemia induces TP53 and TP73 overexpression and promotes cell death. Toxicol In Vitro. 2020 Dec;69:104992. doi: 10.1016/j.tiv.2020.104992. Epub 2020 Sep 2. PMID: 32889036. 7: Chen S, Zhang L, Ying Y, Wang Y, Arnold PR, Wang G, Li J, Ghobrial RM, Chen W, Xiao X, Li XC. Epigenetically modifying the Foxp3 locus for generation of stable antigen-specific Tregs as cellular therapeutics. Am J Transplant. 2020 Sep;20(9):2366-2379. doi: 10.1111/ajt.15845. Epub 2020 Apr 5. PMID: 32167228; PMCID: PMC7483360. 8: Gu M, Toh TB, Hooi L, Lim JJ, Zhang X, Chow EK. Nanodiamond-Mediated Delivery of a G9a Inhibitor for Hepatocellular Carcinoma Therapy. ACS Appl Mater Interfaces. 2019 Dec 11;11(49):45427-45441. doi: 10.1021/acsami.9b16323. Epub 2019 Nov 26. PMID: 31718136. 9: Alves-Silva JC, de Carvalho JL, Rabello DA, Serejo TRT, Rego EM, Neves FAR, Lucena-Araujo AR, Pittella-Silva F, Saldanha-Araujo F. GLP overexpression is associated with poor prognosis in Chronic Lymphocytic Leukemia and its inhibition induces leukemic cell death. Invest New Drugs. 2018 Oct;36(5):955-960. doi: 10.1007/s10637-018-0613-x. Epub 2018 May 31. PMID: 29855824. 10: Bittencourt D, Wu DY, Jeong KW, Gerke DS, Herviou L, Ianculescu I, Chodankar R, Siegmund KD, Stallcup MR. G9a functions as a molecular scaffold for assembly of transcriptional coactivators on a subset of glucocorticoid receptor target genes. Proc Natl Acad Sci U S A. 2012 Nov 27;109(48):19673-8. doi: 10.1073/pnas.1211803109. Epub 2012 Nov 14. PMID: 23151507; PMCID: PMC3511704. 11: Liu F, Barsyte-Lovejoy D, Allali-Hassani A, He Y, Herold JM, Chen X, Yates CM, Frye SV, Brown PJ, Huang J, Vedadi M, Arrowsmith CH, Jin J. Optimization of cellular activity of G9a inhibitors 7-aminoalkoxy-quinazolines. J Med Chem. 2011 Sep 8;54(17):6139-50. doi: 10.1021/jm200903z. Epub 2011 Aug 5. PMID: 21780790; PMCID: PMC3171737.