JAK/HDAC inhibitor 21

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MedKoo CAT#: 130499

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.

Chemical Structure

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JAK/HDAC inhibitor 21
CAS# JAK/HDAC inhibitor 21
Instruction

Theoretical Analysis

MedKoo Cat#: 130499
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

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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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:

Preparing Stock Solutions

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.

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:
In vitro protocol:
In vivo protocol:

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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.