Fimepinostat
Basic information
- CAS
1339928-25-4- Standard SMILES
COc1ccc(-c2nc(N3CCOCC3)c3sc(CN(C)c4ncc(C(=O)NO)cn4)cc3n2)cn1- InChIKey
JOWXJLIFIIOYMS-UHFFFAOYSA-N- Molecular formula
- C23H24N8O4S
- Average molar mass
- 508.6 g/mol
- Monoisotopic mass
- 508.16412245
Overview
Fimepinostat (CUDC-907) has been used in trials studying the treatment of lymphoma, solid tumors, breast cancer, multiple myeloma, and NUT midline carcinoma, among others.
Names & identifiers
- Preferred name
- Fimepinostat
- IUPAC
- N-hydroxy-2-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]pyrimidine-5-carboxamide
- English name
- PI3K/HDAC Inhibitor
- Molecular formula
- C23H24N8O4S
- Molecular weight
- 508.55
Names & synonyms
CUDC-907Fimepinostat1339928-25-4CUDC907CUDC 907N-hydroxy-2-[[2-(6-methoxypyridin-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]pyrimidine-5-carboxamide3S9RX35S5XDTXSID90712307PI3K/HDAC INHIBITOR CUDC-9075-PYRIMIDINECARBOXAMIDE, N-HYDROXY-2-(((2-(6-METHOXY-3-PYRIDINYL)-4-(4-MORPHOLINYL)THIENO(3,2-D)PYRIMIDIN-6-YL)METHYL)METHYLAMINO)-N-Hydroxy-2-[{[2-(6-methoxypyridin-3-yl)-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl}(methyl)amino]pyrimidine-5-carboxamidefimepinostatum
Show more names
CS-767EOS-62197CUDC-907 /CUDC907PI3K/HDAC InhibitorIFimepinostat(CUDC-907)CUDC-907 (Fimepinostat)Fimepinostat, 10 mM in DMSO
5-pyrimidinecarboxamide, N-hydroxy-2-[[[2-(6-methoxy-3-pyridinyl)-4-(4-morpholinyl)thieno[3,2-d]pyrimidin-6-yl]methyl]methylamino]-N-HYDROXY-2-(((2-(6-METHOXYPYRIDIN-3-YL)-4-(MORPHOLIN-4-YL)THIENO(3,2-D)PYRIMIDIN-6-YL)METHYL)(METHYL)AMINO)PYRIMIDINE-5-CARBOXAMIDEN-hydroxy-2-((2-(6-methoxypyridin-3-yl)-4-morpholin-4-ylthieno(3,2-d)pyrimidin-6-yl)methyl-methylamino)pyrimidine-5-carboxamideRefChem:599212DTXCID00663053PI3K/HDAC InhibitorFimepinostat (CUDC-907)N-hydroxy-2-(((2-(6-methoxypyridin-3-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)(methyl)amino)pyrimidine-5-carboxamide
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 167 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 726
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Density
- 1.445 · 1.445±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 25.45 mg/mL · ≥25.45 mg/mL in DMSO; insoluble in H2O; insoluble in EtOH
- form
- solid
- pka
- 7.77 · 7.77±0.10(Predicted)
- color
- Off-white to light yellow
- InChIKey
- JOWXJLIFIIOYMS-UHFFFAOYSA-N
- SMILES
- C1(N(CC2SC3=C(N4CCOCC4)N=C(C4=CC=C(OC)N=C4)N=C3C=2)C)=NC=C(C(NO)=O)C=N1
- FDA UNII
- 3 S9RX35S5X · 3S9RX35S5X
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 310 · H310-H302-H314-H290
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- Hazard statements
- H310-H302-H314-H290
- Precautionary statements
- P501-P270-P262-P234-P264-P280-P390-P361+P364-P303+P361+P353-P301+P330+P331-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P406-P405
Chemistry & industry
Applications
UsesCUDC-907 is a dual PI3K and HDAC inhibitor. Studies have shown CUDC-907 is able to enhance antitumor activity when combined with standard of care agents in multiple myeloma and B cell lymphoma xenograft models.
Related reactions
4 records
Compound notes
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