U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C23H24N8O4S.CH4O3S
Molecular Weight 604.659
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FIMEPINOSTAT MESYLATE

SMILES

CS(O)(=O)=O.COC1=CC=C(C=N1)C2=NC(N3CCOCC3)=C4SC(CN(C)C5=NC=C(C=N5)C(=O)NO)=CC4=N2

InChI

InChIKey=CFLAKAHRZMPILU-UHFFFAOYSA-N
InChI=1S/C23H24N8O4S.CH4O3S/c1-30(23-25-11-15(12-26-23)22(32)29-33)13-16-9-17-19(36-16)21(31-5-7-35-8-6-31)28-20(27-17)14-3-4-18(34-2)24-10-14;1-5(2,3)4/h3-4,9-12,33H,5-8,13H2,1-2H3,(H,29,32);1H3,(H,2,3,4)

HIDE SMILES / InChI

Description
Curator's Comment: description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/22693356

CUDC-907 is a small molecule inhibitor of histone deacetylase and PI3 kinase developed by Curis. It is investigated in clinical trials for the treatment of relapsed or refractory lymphomas, thyroid cancer, multiple myeloma, breast cancer and other malignancies.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
1.7 nM [IC50]
1.8 nM [IC50]
2.8 nM [IC50]
Target ID: P42336
Gene ID: 5290.0
Gene Symbol: PIK3CA
Target Organism: Homo sapiens (Human)
19.0 nM [IC50]
Target ID: O00329
Gene ID: 5293.0
Gene Symbol: PIK3CD
Target Organism: Homo sapiens (Human)
39.0 nM [IC50]
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

Approved Use

Unknown
Primary
Unknown

Approved Use

Unknown
Primary
Unknown

Approved Use

Unknown
Primary
Unknown

Approved Use

Unknown
Primary
Unknown

Approved Use

Unknown
Sourcing

Sourcing

Vendor/AggregatorIDURL
PubMed

PubMed

TitleDatePubMed
Cancer network disruption by a single molecule inhibitor targeting both histone deacetylase activity and phosphatidylinositol 3-kinase signaling.
2012 Aug 1
Patents

Sample Use Guides

The recommended dose for phase 2 clinical trial is 60 mg on the 5/2 dosing schedule.
Route of Administration: Oral
Human cancer cell lines were purchased from American Type Culture Collection (Manassas, VA) and plated at densities of 5,000 to 10,000 per well in 96-well flat-bottomed plates with the recommended culture medium. The cells were then incubated with compounds at various concentrations for 72 hours in culture medium supplemented with 0.5% (v/v) FBS. Growth inhibition was assessed by assay of cellular ATP content using the Perkin-Elmer ATPlite kit. CUDC-907 inhibits the growth of cell lines with IC50 of 10-100 nM.
Name Type Language
FIMEPINOSTAT MESYLATE
Common Name English
CUDC-907 MESYLATE
Common Name English
FIMEPINOSTAT MESILATE
Common Name English
5-PYRIMIDINECARBOXAMIDE, N-HYDROXY-2-(((2-(6-METHOXY-3-PYRIDINYL)-4-(4-MORPHOLINYL)THIENO(3,2-D)PYRIMIDIN-6-YL)METHYL)METHYLAMINO)-, METHANESULFONATE (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
B618F4630I
Created by admin on Fri Dec 15 19:17:57 GMT 2023 , Edited by admin on Fri Dec 15 19:17:57 GMT 2023
PRIMARY
CAS
1401998-36-4
Created by admin on Fri Dec 15 19:17:57 GMT 2023 , Edited by admin on Fri Dec 15 19:17:57 GMT 2023
PRIMARY
SMS_ID
300000042359
Created by admin on Fri Dec 15 19:17:57 GMT 2023 , Edited by admin on Fri Dec 15 19:17:57 GMT 2023
PRIMARY
PUBCHEM
88962004
Created by admin on Fri Dec 15 19:17:57 GMT 2023 , Edited by admin on Fri Dec 15 19:17:57 GMT 2023
PRIMARY