TAK-901

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H32N4O3S
Molecular Weight	504.644
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCS(=O)(=O)C1=CC(=CC=C1)C2=CC(C(=O)NC3CCN(C)CC3)=C(C)C4=C2C5=C(N4)N=CC(C)=C5

InChI

InChIKey=WKDACQVEJIVHMZ-UHFFFAOYSA-N

InChI=1S/C28H32N4O3S/c1-5-36(34,35)21-8-6-7-19(14-21)23-15-22(28(33)30-20-9-11-32(4)12-10-20)18(3)26-25(23)24-13-17(2)16-29-27(24)31-26/h6-8,13-16,20H,5,9-12H2,1-4H3,(H,29,31)(H,30,33)

HIDE SMILES / InChI

Molecular Formula	C28H32N4O3S
Molecular Weight	504.644
Charge	0
Count

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

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/23358665 | http://www.bloodjournal.org/content/118/21/581
Curator's Comment: Description was created based on several sources, including http://www.pharmacodia.com/yaodu/html/v1/chemicals/b13c180ba3b4c0afdd38ed2cb91fc498.html http://www.eurodiagnostico.com/media/pdf/TAK-901.pdf

Millennium (a wholly-owned subsidiary of Takeda) was developing TAK- 901 for the treatment of cancer. TAK-901 is an inhibitor of Aurora A/B with IC50 of 21 nM/15 nM. It is not a potent inhibitor of cellular JAK2, c-Src or Abl. TAK-901 is in phase I clinical trials by Millennium Pharmaceuticals for the treatment of advanced hematological malignancies. TAK-901 had been in phase I clinical trials for solid tumors. However, this study was discontinued.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Serine/threonine-protein kinase Aurora-B 28 Target ID: CHEMBL2185 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23358665	Inhibitor 8297		15.0 nM [IC50]
Serine/threonine-protein kinase Aurora-A 37 Target ID: CHEMBL4722 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23358665	Inhibitor 8297		21.0 nM [IC50]

Conditions

Condition	Modality	Highest Phase	Product
Solid tumors 145 Sources: http://adisinsight.springer.com/drugs/800029358 https://clinicaltrials.gov/ct2/show/NCT00935844	Primary	Phase I 428	Unknown Approved Use Unknown
Lymphoma 58 Sources: http://adisinsight.springer.com/drugs/800029358 https://clinicaltrials.gov/ct2/show/NCT00935844	Primary	Phase I 428	Unknown Approved Use Unknown
Advanced hematologic malignancies 4 Sources: http://adisinsight.springer.com/drugs/800029358 https://clinicaltrials.gov/ct2/show/NCT00807677	Primary	Phase I 428	Unknown Approved Use Unknown

Sourcing

Vendor/Aggregator	ID	URL
001 Chemical	DY111461	https://www.001chemical.com/chem/search?q=DY111461
1PlusChem LLC	1P00GUNB	https://www.1pchem.com/search?query=1P00GUNB
A2B Chem	AH85415	http://a2bchem.com/prod/AH85415
AK Scientific	X7460	https://aksci.com/item_detail.php?cat=X7460
Angene	AGN-PC-0W30M1	http://www.angenechemical.com/productshow/AGN-PC-0W30M1.html
ApexBio Technology	A4124	https://www.apexbt.com/catalogsearch/result/?q=A4124
AstaTech	28309	http://astatechinc.com/CPSResult.php?CRNO=28309
BLD Pharm	BD316968	http://www.bldpharm.com/search/Search.html?keyword=BD316968
BOC Sciences	934541-31-8	http://www.bocsci.com/description.asp?cas=934541-31-8
Chem Scene	CS-0243	http://www.chemscene.com/goproductList/searchProductList?productObj=CS-0243
ChemShuttle	104816	https://www.chemshuttle.com/catalogsearch/result/?q=104816
Debye Scientific	DB-044972	https://www.debyesci.com/index.php?id=product&ext[cno]=DB-044972
Excenen	EX-A874	http://www.excenen.com/searchresultlist.php?id=EX-A874
Hairui	HR117447	http://www.hairuichem.com/en/product/search.do?q=HR117447
KeyOrganics	AS-19385	http://www.keyorganicsinc.com/bionet/catalogsearch/result?q=AS-19385
Lab Seeker	SC-58239	http://www.labseeker.com/search.php?keywords=SC-58239&category=0
LabSeeker	SC-58239	http://www.labseeker.com/search.php?keywords=SC-58239&category=0
Matrix Scientific	145210	http://www.matrixscientific.com/145210.html
MedChem Express	HY-12201	https://www.medchemexpress.com/search.html?q=HY-12201&ft=&fa=&fp=
MolPort	MolPort-021-783-300	https://www.molport.com/shop/molecule-link/MolPort-021-783-300
Molcore	MC111461	http://www.molcore.com/CatMC111461.html
Molnova	M16681	https://www.molnova.com/en/serch-list.html?keywords=M16681
MuseChem	R053222	https://www.musechem.com/product/R053222.html
Selleck Chemicals	S2718	http://www.selleckchem.com/search.html?searchDTO.searchParam=S2718
ShangHai Biochempartner	BCP02526	http://www.biochempartner.com/search_BCP02526
Synthonix	SL100074	http://www.synthon-lab.com/search.php?cas_or_id=SL100074&cas_id_field=1
Toronto Research Chemicals	T004920	https://www.trc-canada.com/product-detail/?CatNum=T004920
eMolecules	37153206	https://orderbb.emolecules.com/search/#?query=37153206
eNovation Chemicals	D372323	https://www.enovationchem.com/Products.asp?SEARCHTEXT=D372323&searchbtn.x=0&searchbtn.y=0
mcule	MCULE-6469555381	https://mcule.com/MCULE-6469555381/

PubMed

Title	Date	PubMed
Biological characterization of TAK-901, an investigational, novel, multitargeted Aurora B kinase inhibitor.	2013 Apr	23358665

Patents

Sample Use Guides

In Vivo Use Guide

Rats:Tumor regressions were observed at the highest dose levels of TAK-901 in several xenograft models, including 95% at 45 mg/kg twice daily in (nude rat) ovarian A2780 model

Route of Administration: Intravenous

In Vitro Use Guide

In various human cancer cell lines, TAK-901 inhibited cell proliferation with effective concentration values from 40 to 500 nmol/L.

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:43:29 GMT 2023` Edited by `admin` on `Fri Dec 15 17:43:29 GMT 2023`
Record UNII	DM9UIR23R7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TAK-901

Common Name

English

9H-PYRIDO(2,3-B)INDOLE-7-CARBOXAMIDE, 5-(3-(ETHYLSULFONYL)PHENYL)-3,8-DIMETHYL-N-(1-METHYL-4-PIPERIDINYL)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

16124208