WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H130499
CAS#: JAK/HDAC inhibitor 21
Description: JAK/HDAC inhibitor 21 is a HDAC3/6 and JAK1/2 inhibitor. It is selective for JAK2, presenting antiproliferative activity in both hematological malignancies and solid cancers.
Hodoodo Cat#: H130499
Name: JAK/HDAC inhibitor 21
CAS#: JAK/HDAC inhibitor 21
Chemical Formula: C30H42N6O5S
Exact Mass: 598.29
Molecular Weight: 598.763
Elemental Analysis: C, 60.18; H, 7.07; N, 14.04; O, 13.36; S, 5.35
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Synonym: JAK/HDAC inhibitor-21, JAK/HDAC-In-21, JAK/HDAC In-21, JAK/HDAC In 21
IUPAC/Chemical Name: 7-(4-((4-((3-(N-(tert-Butyl)sulfamoyl)phenyl)amino)-5-methylpyrimidin-2-yl)amino)phenoxy)-N-hydroxyheptanamide
InChi Key: YJVWRVUQZNYKON-UHFFFAOYSA-N
InChi Code: InChI=1S/C28H38N6O5S/c1-20-19-29-27(31-21-13-15-23(16-14-21)39-17-8-6-5-7-12-25(35)33-36)32-26(20)30-22-10-9-11-24(18-22)40(37,38)34-28(2,3)4/h9-11,13-16,18-19,34,36H,5-8,12,17H2,1-4H3,(H,33,35)(H2,29,30,31,32)
SMILES Code: CC(C(NC1=CC=CC(S(NC(C)(C)C)(=O)=O)=C1)=N2)=CN=C2NC3=CC=C(OCCCCCCC(NO)=O)C=C3
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 598.76 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. Qiu Q, Chi F, Zhou D, Xie Z, Liu Y, Wu H, Yin Z, Shi W, Qian H. Exploration of Janus Kinase (JAK) and Histone Deacetylase (HDAC) Bispecific Inhibitors Based on the Moiety of Fedratinib for Treatment of Both Hematologic Malignancies and Solid Cancers. J Med Chem. 2023 Apr 27;66(8):5753-5773. doi: 10.1021/acs.jmedchem.3c00036. Epub 2023 Apr 14. PMID: 37057760.