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MedKoo Cat#: 471036 | Name: ST 045849
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Description:

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

ST 045849 is an O-GlcNAc transferase (OGT) inhibitor, it can reduce proliferation and viability of prostate cancer cells in vitro.

Chemical Structure

ST 045849
CAS#442665-87-4

Theoretical Analysis

MedKoo Cat#: 471036

Name: ST 045849

CAS#: 442665-87-4

Chemical Formula: C23H27ClN2O3S

Exact Mass: 446.1431

Molecular Weight: 446.99

Elemental Analysis: C, 61.80; H, 6.09; Cl, 7.93; N, 6.27; O, 10.74; S, 7.17

Price and Availability

Size Price Availability Quantity
5mg USD 350.00 2 Weeks
25mg USD 850.00 2 Weeks
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Related CAS #
No Data
Synonym
ST 045849, ST045849, ST-045849
IUPAC/Chemical Name
(Z)-3-(2-(adamantan-1-yl)ethyl)-2-((4-chlorophenyl)imino)-4-oxo-1,3-thiazinane-6-carboxylic acid
InChi Key
HLPZEZRNGAXCJH-LVWGJNHUSA-N
InChi Code
InChI=1S/C23H27ClN2O3S/c24-17-1-3-18(4-2-17)25-22-26(20(27)10-19(30-22)21(28)29)6-5-23-11-14-7-15(12-23)9-16(8-14)13-23/h1-4,14-16,19H,5-13H2,(H,28,29)/b25-22-
SMILES Code
O=C(C(S/C(N1CCC2(C3)CC4CC3CC(C4)C2)=N\C5=CC=C(Cl)C=C5)CC1=O)O
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 and ethanol
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
Product Data
Product Data
Instruction
View handling instruction
Biological target:
ST 045849 is a OGT inhibitor (IC50 = 53 μM).
In vitro activity:
Inhibition of OGT by ST045849 decreased glucose production in mouse embryonic stem cells. Reference: Stem Cells Dev. 2014 Sep 1;23(17):2067-79. https://pubmed.ncbi.nlm.nih.gov/24730386/
In vivo activity:
To be determined
Solvent mg/mL mM comments
Solubility
DMSO 44.7 0.00
Ethanol 44.0 100.00
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 446.99 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:
1. Xu W, Zhang X, Wu JL, Fu L, Liu K, Liu D, Chen GG, Lai PB, Wong N, Yu J. O-GlcNAc transferase promotes fatty liver-associated liver cancer through inducing palmitic acid and activating endoplasmic reticulum stress. J Hepatol. 2017 Aug;67(2):310-320. doi: 10.1016/j.jhep.2017.03.017. Epub 2017 Mar 25. PMID: 28347804. 2. Jeon JH, Suh HN, Kim MO, Ryu JM, Han HJ. Glucosamine-induced OGT activation mediates glucose production through cleaved Notch1 and FoxO1, which coordinately contributed to the regulation of maintenance of self-renewal in mouse embryonic stem cells. Stem Cells Dev. 2014 Sep 1;23(17):2067-79. doi: 10.1089/scd.2013.0583. Epub 2014 May 27. PMID: 24730386; PMCID: PMC4142796.
In vitro protocol:
1. Xu W, Zhang X, Wu JL, Fu L, Liu K, Liu D, Chen GG, Lai PB, Wong N, Yu J. O-GlcNAc transferase promotes fatty liver-associated liver cancer through inducing palmitic acid and activating endoplasmic reticulum stress. J Hepatol. 2017 Aug;67(2):310-320. doi: 10.1016/j.jhep.2017.03.017. Epub 2017 Mar 25. PMID: 28347804. 2. Jeon JH, Suh HN, Kim MO, Ryu JM, Han HJ. Glucosamine-induced OGT activation mediates glucose production through cleaved Notch1 and FoxO1, which coordinately contributed to the regulation of maintenance of self-renewal in mouse embryonic stem cells. Stem Cells Dev. 2014 Sep 1;23(17):2067-79. doi: 10.1089/scd.2013.0583. Epub 2014 May 27. PMID: 24730386; PMCID: PMC4142796.
In vivo protocol:
To be determined
1. Kim G.et al; Impact of protein O-GlcNAcylation on neural tube malformation in diabetic embryopathy; Sci Rep. 2017 Sep 11;7(1):11107. doi: 10.1038/s41598-017-11655-6. 2. Itkonen HM et al.; Inhibition of O-GlcNAc transferase activity reprograms prostate cancer cell metabolism; Oncotarget. 2016 Mar 15;7(11):12464-76. doi: 10.18632/oncotarget.7039. 3. Kim EJ et al.; Versatile O-GlcNAc transferase assay for high-throughput identification of enzyme variants, substrates, and inhibitors; Bioconjug Chem. 2014 Jun 18;25(6):1025-30. doi: 10.1021/bc5001774. Epub 2014 Jun 2 4. Victor V. Lima et al.; O-GlcNAcylation contributes to the vascular effects of ET-1 via activation of the RhoA/Rho-kinase pathway; Cardiovasc Res. 2011 Feb 15; 89(3): 614–622.