MedKoo Cat#: 135711 | Name: KTX-1001

Description:

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

KTX-1001, also known as NSD2 inhibitor 161, is a novel, potent nuclear SET domain-containing protein 2 (NSD2) inhibitor. KTX-1001 selectively targets and binds to NSD2, and inhibits its catalytic activity and the mono- and di-methylation of histone H3 lysine 36 (H3K36). This modulates the expression of genes involved in cellular processes including cellular proliferation, which may lead to decreased growth of cancer cells. NSD2, a member of the NSD family of histone lysine methyltransferase enzymes that catalyzes the mono- and di-methylation of H3K36, is overexpressed and dysregulated in many types of cancers.

Chemical Structure

KTX-1001
KTX-1001
CAS#2604513-16-6

Theoretical Analysis

MedKoo Cat#: 135711

Name: KTX-1001

CAS#: 2604513-16-6

Chemical Formula: C25H26F4N8O2

Exact Mass: 546.2115

Molecular Weight: 546.53

Elemental Analysis: C, 54.94; H, 4.80; F, 13.90; N, 20.50; O, 5.85

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
Synonym
KTX 1001; KTX1001; KTX-1001; NSD2-IN-1, NSD2 IN 1, NSD2-Inhibitor-1, NSD2 Inhibitor 1, NSD2 In 161, NSD2-In-161; NSD2 inhibitor 161; MMSET inhibitor KTX-1001; WHSC1 inhibitor KTX-1001; Gintemetostat
IUPAC/Chemical Name
(S)-1-((R)-3-Amino-1-(4-((6-amino-9H-purin-9-yl)methyl)-6-(2,5-difluoro-4-methoxyphenyl)pyridin-3-yl)piperidin-3-yl)-2,2-difluoroethan-1-ol
InChi Key
PIFXSVGCYBHXHR-PXDATVDWSA-N
InChi Code
InChI=1S/C25H26F4N8O2/c1-39-19-7-15(26)14(6-16(19)27)17-5-13(9-37-12-35-20-23(30)33-11-34-24(20)37)18(8-32-17)36-4-2-3-25(31,10-36)21(38)22(28)29/h5-8,11-12,21-22,38H,2-4,9-10,31H2,1H3,(H2,30,33,34)/t21-,25-/m1/s1
SMILES Code
O[C@@H]([C@]1(N)CN(C2=C(CN3C=NC4=C(N)N=CN=C34)C=C(C5=CC(F)=C(OC)C=C5F)N=C2)CCC1)C(F)F
Appearance
To be determined
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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

Preparing Stock Solutions

The following data is based on the product molecular weight 546.53 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
1: He L, Cao Y, Sun L. NSD family proteins: Rising stars as therapeutic targets. Cell Insight. 2024 Feb 3;3(2):100151. doi: 10.1016/j.cellin.2024.100151. PMID: 38371593; PMCID: PMC10869250. 2: Ma Z, Bolinger AA, Chen H, Zhou J. Drug Discovery Targeting Nuclear Receptor Binding SET Domain Protein 2 (NSD2). J Med Chem. 2023 Aug 24;66(16):10991-11026. doi: 10.1021/acs.jmedchem.3c00948. Epub 2023 Aug 14. PMID: 37578463; PMCID: PMC11092389.