WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H13571
CAS#: 2604513-16-6
Description: NSD2 inhibitor 161 is a novel, potent nuclear SET domain-containing protein 2 (NSD2) inhibitor.
Hodoodo Cat#: H13571
Name: NSD2 inhibitor 161
CAS#: 2604513-16-6
Chemical Formula: C25H26F4N8O2
Exact Mass: 546.21
Molecular Weight: 546.530
Elemental Analysis: C, 54.94; H, 4.80; F, 13.90; N, 20.50; O, 5.85
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Related CAS #: NSD2 Inhibitor 15a
Synonym: NSD2-IN-1, NSD2 IN 1, NSD2-Inhibitor-1, NSD2 Inhibitor 1, NSD2 In 161, NSD2-In-161
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:
Biological target: | |
In vitro activity: | |
In vivo activity: |
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.
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: |
1. Wang S, Yang H, Su M, Lian F, Cong Z, Wei R, Zhou Y, Li X, Zheng X, Li C, Fu X, Han X, Shi Q, Li C, Zhang N, Geng M, Liu H, Li J, Huang X, Wang J. 5-Aminonaphthalene derivatives as selective nonnucleoside nuclear receptor binding SET domain-protein 2 (NSD2) inhibitors for the treatment of multiple myeloma. Eur J Med Chem. 2021 Oct 15;222:113592. doi: 10.1016/j.ejmech.2021.113592. Epub 2021 Jun 5. PMID: 34147909.