TASQUINIMOD

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H17F3N2O4
Molecular Weight	406.3552
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C2C(=CC=C1)N(C)C(=O)C(C(=O)N(C)C3=CC=C(C=C3)C(F)(F)F)=C2O

InChI

InChIKey=ONDYALNGTUAJDX-UHFFFAOYSA-N

InChI=1S/C20H17F3N2O4/c1-24(12-9-7-11(8-10-12)20(21,22)23)18(27)16-17(26)15-13(25(2)19(16)28)5-4-6-14(15)29-3/h4-10,26H,1-3H3

HIDE SMILES / InChI

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/27298414 | www.ncbi.nlm.nih.gov/pubmed/24600234

Tasquinimod is a drug, developed by Active Biotech Research and tested in phase III of clinical trials for the treatment of Castrate Resistant Prostate Cancer. The drug acts by targeting the tumor microenvironment with S100A9 being one of molecular targets.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Protein S100-A9 1 Target ID: P06702 Gene ID: 6280.0 Gene Symbol: S100A9 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/27298414	Inhibitor 8297

Conditions

Condition	Modality	Targets	Highest Phase	Product
Castrate-resistant prostate cancer 20 Sources: https://www.ncbi.nlm.nih.gov/pubmed/27298414	Primary		Phase III 656	Unknown Approved Use Unknown

C_max

Value	Dose	Co-administered	Analyte	Population
0.26 μM EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/19755981/	0.5 mg 1 times / day steady-state, oral dose: 0.5 mg route of administration: Oral experiment type: STEADY-STATE co-administered:		TASQUINIMOD plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: MALE food status: UNKNOWN

AUC

Value	Dose	Co-administered	Analyte	Population
4.8 μM × h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/19755981/	0.5 mg 1 times / day steady-state, oral dose: 0.5 mg route of administration: Oral experiment type: STEADY-STATE co-administered:		TASQUINIMOD plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: MALE food status: UNKNOWN

T_1/2

Value	Dose	Co-administered	Analyte	Population
40 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/19755981/	0.5 mg 1 times / day steady-state, oral dose: 0.5 mg route of administration: Oral experiment type: STEADY-STATE co-administered:		TASQUINIMOD plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: MALE food status: UNKNOWN

Sourcing

Vendor/Aggregator	ID	URL
001 Chemical	DY107103	https://www.001chemical.com/chem/search?q=DY107103
1PlusChem LLC	1P00BFLJ	https://www.1pchem.com/search?query=1P00BFLJ
AChemBlock	O33808	http://www.achemblock.com/catalogsearch/result/?q=O33808
AK Scientific	2746AH	https://aksci.com/item_detail.php?cat=2746AH
AOBIOUS INC	AOB87360	http://aobious.com/aobious/search?search_query=AOB87360
Ambeed	A337216	http://www.ambeed.com/search/Search.html?keyword=A337216
Angene	AGN-PC-0WH9AP	http://www.angenechemical.com/productshow/AGN-PC-0WH9AP.html
ApexBio Technology	A3860	https://www.apexbt.com/catalogsearch/result/?q=A3860
AstaTech	42289	http://astatechinc.com/CPSResult.php?CRNO=42289
BLD Pharm	BD305716	http://www.bldpharm.com/search/Search.html?keyword=BD305716
Cayman Chemical	17692	http://www.caymanchem.com/app/template/Product.vm/catalog/17692
ChemShuttle	112778	https://www.chemshuttle.com/catalogsearch/result/?q=112778
Hairui	HR144074	http://www.hairuichem.com/en/product/search.do?q=HR144074
KeyOrganics	AS-35208	http://www.keyorganicsinc.com/bionet/catalogsearch/result?q=AS-35208
Lab Seeker	SC-96760	http://www.labseeker.com/search.php?keywords=SC-96760&category=0
LabSeeker	SC-96760	http://www.labseeker.com/search.php?keywords=SC-96760&category=0
Matrix Scientific	132691	http://www.matrixscientific.com/132691.html
MedChem Express	HY-10528	https://www.medchemexpress.com/search.html?q=HY-10528&ft=&fa=&fp=
MolPort	MolPort-035-789-708	https://www.molport.com/shop/molecule-link/MolPort-035-789-708
Molcore	MC107103	http://www.molcore.com/CatMC107103.html
Molnova	M13764	https://www.molnova.com/en/serch-list.html?keywords=M13764
Selleck Chemicals	S7617	http://www.selleckchem.com/search.html?searchDTO.searchParam=S7617
ShangHai Biochempartner	BCP10352	http://www.biochempartner.com/search_BCP10352
TargetMol	T6695	https://www.targetmol.com/search?keyword=T6695
eMolecules	44811557	https://orderbb.emolecules.com/search/#?query=44811557
mcule	MCULE-2997375322	https://mcule.com/MCULE-2997375322/

PubMed

Title	Date	PubMed

Patents

Sample Use Guides

In Vivo Use Guide

Tasquinimod is given orally at a dose of 1 mg once daily.

Route of Administration: Oral

In Vitro Use Guide

LNCaP prostate tumor cells were cultured with 50 uM of tasquinimod for 24 h to test its effect on gene expression. At 10 uM tasquinimod the TSP1 mRNA expression was elevated at 6 h and peaked after 72 h. Moreover, after 72 h exposure the TSP1 mRNA levels was already elevated at a dose of 1 uM tasquinimod.

Name

Type

Language

TASQUINIMOD

Official Name

English

Tasquinimod [WHO-DD]

Common Name

English

tasquinimod [INN]

Common Name

English

TASQUINIMOD [MI]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C1742