FIMEPINOSTAT MESYLATE

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 Search

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

Molecular Formula	C23H24N8O4S
Molecular Weight	508.553
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	CH4O3S
Molecular Weight	96.106
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: http://www.curis.com/pipeline/cudc-907
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.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Potency
Histone deacetylase 1 51 Target ID: CHEMBL325 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22693356	Inhibitor 8297	1.7 nM [IC50]
Histone deacetylase 3 35 Target ID: CHEMBL1829 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22693356	Inhibitor 8297	1.8 nM [IC50]
Histone deacetylase 10 10 Target ID: CHEMBL5103 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22693356	Inhibitor 8297	2.8 nM [IC50]
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 9 Target ID: P42336 Gene ID: 5290.0 Gene Symbol: PIK3CA Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/22693356	Inhibitor 8297	19.0 nM [IC50]
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 9 Target ID: O00329 Gene ID: 5293.0 Gene Symbol: PIK3CD Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/22693356	Inhibitor 8297	39.0 nM [IC50]

Conditions

Condition	Modality	Highest Phase	Product
Diffuse large B-cell lymphoma 20 Sources: https://www.ncbi.nlm.nih.gov/pubmed/27049457	Primary	Phase II 1132	Unknown Approved Use Unknown
Thyroid cancer 16 Sources: https://clinicaltrials.gov/ct2/show/NCT03002623	Primary	Phase II 1132	Unknown Approved Use Unknown
Multiple myeloma 159 Sources: https://www.ncbi.nlm.nih.gov/pubmed/27049457	Primary	Phase I 428	Unknown Approved Use Unknown
Breast cancer 434 Sources: https://clinicaltrials.gov/ct2/show/NCT02307240	Primary	Phase I 428	Unknown Approved Use Unknown
Neuroblastoma 25 Sources: https://clinicaltrials.gov/ct2/show/NCT02909777	Primary	Phase I 428	Unknown Approved Use Unknown

Sourcing

Vendor/Aggregator	ID	URL
1PlusChem LLC	1P009CRC	https://www.1pchem.com/search?query=1P009CRC
AK Scientific	2341AH	https://aksci.com/item_detail.php?cat=2341AH
AOBIOUS INC	AOB6775	http://aobious.com/aobious/search?search_query=AOB6775
Ambeed	A175209	http://www.ambeed.com/search/Search.html?keyword=A175209
Angene	AGN-PC-0WAMG3	http://www.angenechemical.com/productshow/AGN-PC-0WAMG3.html
ApexBio Technology	A4097	https://www.apexbt.com/catalogsearch/result/?q=A4097
AstaTech	42188	http://astatechinc.com/CPSResult.php?CRNO=42188
BLD Pharm	BD329073	http://www.bldpharm.com/search/Search.html?keyword=BD329073
BOC Sciences	1339928-25-4	http://www.bocsci.com/description.asp?cas=1339928-25-4
Chem Scene	CS-1610	http://www.chemscene.com/goproductList/searchProductList?productObj=CS-1610
ChemShuttle	141615	https://www.chemshuttle.com/catalogsearch/result/?q=141615
Debye Scientific	DA-34958	https://www.debyesci.com/index.php?id=product&ext[cno]=DA-34958
Excenen	EX-A742	http://www.excenen.com/searchresultlist.php?id=EX-A742
KeyOrganics	AS-57131	http://www.keyorganicsinc.com/bionet/catalogsearch/result?q=AS-57131
MedChem Express	HY-13522	https://www.medchemexpress.com/search.html?q=HY-13522&ft=&fa=&fp=
MolPort	MolPort-023-293-550	https://www.molport.com/shop/molecule-link/MolPort-023-293-550
Molnova	M11364	https://www.molnova.com/en/serch-list.html?keywords=M11364
MuseChem	I001301	https://www.musechem.com/product/I001301.html
ShangHai Biochempartner	BCP000742	http://www.biochempartner.com/search_BCP000742
ShangHai Biochempartner	BCP06870	http://www.biochempartner.com/search_BCP06870
TargetMol	T2078	https://www.targetmol.com/search?keyword=T2078
Toronto Research Chemicals	C834510	https://www.trc-canada.com/product-detail/?CatNum=C834510
eMolecules	43366912	https://orderbb.emolecules.com/search/#?query=43366912
eNovation Chemicals	D572838	https://www.enovationchem.com/Products.asp?SEARCHTEXT=D572838&searchbtn.x=0&searchbtn.y=0
mcule	MCULE-9124142024	https://mcule.com/MCULE-9124142024/

PubMed

Title	Date	PubMed
Cancer network disruption by a single molecule inhibitor targeting both histone deacetylase activity and phosphatidylinositol 3-kinase signaling.	2012 Aug 1	22693356

Patents

Sample Use Guides

In Vivo Use Guide

The recommended dose for phase 2 clinical trial is 60 mg on the 5/2 dosing schedule.

Route of Administration: Oral

In Vitro Use Guide

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.

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:17:57 UTC 2023` Edited by `admin` on `Fri Dec 15 19:17:57 UTC 2023`
Record UNII	B618F4630I
Record Status	`Validated (UNII)`
Record Version

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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 UTC 2023 , Edited by admin on Fri Dec 15 19:17:57 UTC 2023

PRIMARY

CAS

1401998-36-4

Created by admin on Fri Dec 15 19:17:57 UTC 2023 , Edited by admin on Fri Dec 15 19:17:57 UTC 2023

PRIMARY

SMS_ID

300000042359

Created by admin on Fri Dec 15 19:17:57 UTC 2023 , Edited by admin on Fri Dec 15 19:17:57 UTC 2023

PRIMARY

PUBCHEM

88962004

Created by admin on Fri Dec 15 19:17:57 UTC 2023 , Edited by admin on Fri Dec 15 19:17:57 UTC 2023

PRIMARY

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FIMEPINOSTAT

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					3S9RX35S5X

FIMEPINOSTAT

ACTIVE MOIETY

Details

SMILES

InChI

DescriptionSources: http://www.curis.com/pipeline/cudc-907Curator's Comment: description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/22693356

Originator

Approval Year

Targets

Conditions

Approved Use

Approved Use

Approved Use

Approved Use

Approved Use

Sourcing

PubMed

Patents

Sample Use Guides

Description
Sources: http://www.curis.com/pipeline/cudc-907
Curator's Comment: description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/22693356