Details
Stereochemistry | ACHIRAL |
Molecular Formula | C24H26ClN5O3 |
Molecular Weight | 467.948 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
ONC(=O)CCCCCCNC(=O)C1=CN=C(N=C1)N(C2=CC=CC=C2)C3=C(Cl)C=CC=C3
InChI
InChIKey=VLIUIBXPEDFJRF-UHFFFAOYSA-N
InChI=1S/C24H26ClN5O3/c25-20-12-7-8-13-21(20)30(19-10-4-3-5-11-19)24-27-16-18(17-28-24)23(32)26-15-9-2-1-6-14-22(31)29-33/h3-5,7-8,10-13,16-17,33H,1-2,6,9,14-15H2,(H,26,32)(H,29,31)
HDAC-IN-2 (also known as citarinostat or ACY-241) was developed as a selective histone deacetylase (HDAC) 6 inhibitor with potential antineoplastic activity. Inhibition of HDAC leads to the inhibition of tumor oncogene transcription, and the selective transcription of tumor suppressor genes, which inhibit tumor cell division and induce tumor cell apoptosis. HDAC-IN-2 participates in phase 1b clinical trial in patients with multiple myeloma to determine the maximum tolerated dose (MTD) and evaluate the safety and preliminary antitumor activity. Besides, HDAC-IN-2 in combination with paclitaxel participates in phase Ib in patients with advanced solid tumors. In addition, HDAC-IN-2 in combination with nivolumab participates in phase I in patients with unresectable non-small cell lung cancer to determine the safety, tolerability, dose-limiting toxicities (DLTs), and maximum tolerated dose (MTD) of the drug.
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL1865 Sources: https://www.ncbi.nlm.nih.gov/pubmed/27926524 |
2.6 nM [IC50] | ||
Target ID: CHEMBL325 Sources: https://www.ncbi.nlm.nih.gov/pubmed/27926524 |
35.0 nM [IC50] | ||
Target ID: CHEMBL1937 Sources: https://www.ncbi.nlm.nih.gov/pubmed/27926524 |
45.0 nM [IC50] | ||
Target ID: CHEMBL1829 Sources: https://www.ncbi.nlm.nih.gov/pubmed/27926524 |
46.0 nM [IC50] | ||
Target ID: CHEMBL3192 Sources: https://www.ncbi.nlm.nih.gov/pubmed/27926524 |
137.0 nM [IC50] |
Sample Use Guides
In Vivo Use Guide
Sources: https://clinicaltrials.gov/ct2/show/NCT02400242
Open label dosing cohorts will evaluate oral ACY-241 (HDAC-IN-2) (dosing ranging from 180 mg to 480 mg days 1-21) in combination with oral pomalidomide (4 mg days 1-21), and oral dexamethasone (40 mg qd on days 1, 8, 15, 22).
Route of Administration:
Oral
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NCI_THESAURUS |
C1946
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FDA ORPHAN DRUG |
544316
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NCI_THESAURUS |
C129825
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1316215-12-9
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C121641
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10512
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DB15449
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CD-185
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441P620G3P
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100000178198
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53340426
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ACTIVE MOIETY