ASP-3026

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H40N8O3S
Molecular Weight	580.745
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC(=CC=C1NC2=NC(NC3=CC=CC=C3S(=O)(=O)C(C)C)=NC=N2)N4CCC(CC4)N5CCN(C)CC5

InChI

InChIKey=MGGBYMDAPCCKCT-UHFFFAOYSA-N

InChI=1S/C29H40N8O3S/c1-21(2)41(38,39)27-8-6-5-7-25(27)33-29-31-20-30-28(34-29)32-24-10-9-23(19-26(24)40-4)36-13-11-22(12-14-36)37-17-15-35(3)16-18-37/h5-10,19-22H,11-18H2,1-4H3,(H2,30,31,32,33,34)

HIDE SMILES / InChI

Molecular Formula	C29H40N8O3S
Molecular Weight	580.745
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/26966027 | https://www.ncbi.nlm.nih.gov/pubmed/24419060 | https://www.ncbi.nlm.nih.gov/pubmed/25026277

ASP-3026 is a ALK tyrosine kinase receptor inhibitor which was developed by Astellas Pharma for the treatment of cancer conditions. The drug is being tested in phase I of clinical trials in patients with solid tumors, B-cell lymphoma and non-small cell lung carcinoma. The drug was discontinued for strategic reasons.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
ALK tyrosine kinase receptor 25 Target ID: CHEMBL4247 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24419060	Inhibitor 8297		3.5 nM [IC50]

Conditions

Condition	Modality	Highest Phase	Product
B-cell lymphoma 3 Sources: https://clinicaltrials.gov/ct2/show/NCT01284192	Primary	Phase I 428	Unknown Approved Use Unknown
Solid tumors 1 Sources: https://www.ncbi.nlm.nih.gov/pubmed/26966027	Primary	Phase I 428	Unknown Approved Use Unknown
Non-small cell lung cancer 206 Sources: https://www.ncbi.nlm.nih.gov/pubmed/26020125	Primary	Phase I 428	Unknown Approved Use Unknown

C_max

Value	Dose	Analyte	Population
961 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/26966027	525 mg single, oral dose: 525 mg route of administration: Oral experiment type: SINGLE co-administered:	ASP-3026 plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
1331 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/26966027	525 mg 1 times / day multiple, oral dose: 525 mg route of administration: Oral experiment type: MULTIPLE co-administered:	ASP-3026 plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
1633 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/26966027	800 mg single, oral dose: 800 mg route of administration: Oral experiment type: SINGLE co-administered:	ASP-3026 plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
4854 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/26966027	800 mg 1 times / day multiple, oral dose: 800 mg route of administration: Oral experiment type: MULTIPLE co-administered:	ASP-3026 plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN

AUC

Value	Dose	Analyte	Population
11746 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/26966027	525 mg single, oral dose: 525 mg route of administration: Oral experiment type: SINGLE co-administered:	ASP-3026 plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
19993 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/26966027	525 mg 1 times / day multiple, oral dose: 525 mg route of administration: Oral experiment type: MULTIPLE co-administered:	ASP-3026 plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
21796 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/26966027	800 mg single, oral dose: 800 mg route of administration: Oral experiment type: SINGLE co-administered:	ASP-3026 plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
78081 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/26966027	800 mg 1 times / day multiple, oral dose: 800 mg route of administration: Oral experiment type: MULTIPLE co-administered:	ASP-3026 plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN

T_1/2

Value	Dose	Co-administered	Analyte	Population
24.9 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/26966027	525 mg 1 times / day multiple, oral dose: 525 mg route of administration: Oral experiment type: MULTIPLE co-administered:		ASP-3026 plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
37.9 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/26966027	800 mg 1 times / day multiple, oral dose: 800 mg route of administration: Oral experiment type: MULTIPLE co-administered:		ASP-3026 plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN

Sourcing

Vendor/Aggregator	ID	URL
001 Chemical	DY110896	https://www.001chemical.com/chem/search?q=DY110896
1PlusChem LLC	1P008TU7	https://www.1pchem.com/search?query=1P008TU7
AK Scientific	2229AH	https://aksci.com/item_detail.php?cat=2229AH
AK Scientific	SYN5648	https://aksci.com/item_detail.php?cat=SYN5648
AOBIOUS INC	AOB6601	http://aobious.com/aobious/search?search_query=AOB6601
Angene	AGN-PC-0WH9F9	http://www.angenechemical.com/productshow/AGN-PC-0WH9F9.html
ApexBio Technology	A3193	https://www.apexbt.com/catalogsearch/result/?q=A3193
AstaTech	40954	http://astatechinc.com/CPSResult.php?CRNO=40954
Axon MedChem	2005	https://www.axonmedchem.com/product/2005
BLD Pharm	BD558645	http://www.bldpharm.com/search/Search.html?keyword=BD558645
BOC Sciences	1097917-15-1	http://www.bocsci.com/description.asp?cas=1097917-15-1
Cayman Chemical	18491	http://www.caymanchem.com/app/template/Product.vm/catalog/18491
Chem Scene	CS-0787	http://www.chemscene.com/goproductList/searchProductList?productObj=CS-0787
ChemShuttle	101182	https://www.chemshuttle.com/catalogsearch/result/?q=101182
Debye Scientific	DA-35322	https://www.debyesci.com/index.php?id=product&ext[cno]=DA-35322
Excenen	EX-A140	http://www.excenen.com/searchresultlist.php?id=EX-A140
KeyOrganics	AS-16959	http://www.keyorganicsinc.com/bionet/catalogsearch/result?q=AS-16959
Matrix Scientific	143817	http://www.matrixscientific.com/143817.html
MedChem Express	HY-13326	https://www.medchemexpress.com/search.html?q=HY-13326&ft=&fa=&fp=
MolPort	MolPort-028-720-342	https://www.molport.com/shop/molecule-link/MolPort-028-720-342
Molcore	MC110896	http://www.molcore.com/CatMC110896.html
Molnova	M10377	https://www.molnova.com/en/serch-list.html?keywords=M10377
MuseChem	I000408	https://www.musechem.com/product/I000408.html
Ryan Scientific	101-93995	https://ryansci.com/products?q=101-93995&list_q=&search_type=exact
Ryan Scientific	Daclatasvir,_BMS790052	https://ryansci.com/products?q=Daclatasvir,_BMS790052&list_q=&search_type=exact
Selleck Chemicals	S8054	http://www.selleckchem.com/search.html?searchDTO.searchParam=S8054
ShangHai Biochempartner	BCP000685	http://www.biochempartner.com/search_BCP000685
ShangHai Biochempartner	BCP06436	http://www.biochempartner.com/search_BCP06436
TargetMol	T1962	https://www.targetmol.com/search?keyword=T1962
Tocris	5310	https://www.tocris.com/search.php?Type=QuickSearch&Value=5310
eMolecules	44786229	https://orderbb.emolecules.com/search/#?query=44786229
eNovation Chemicals	D372348	https://www.enovationchem.com/Products.asp?SEARCHTEXT=D372348&searchbtn.x=0&searchbtn.y=0
mcule	MCULE-6391595637	https://mcule.com/MCULE-6391595637/

PubMed

Title	Date	PubMed
The selective anaplastic lymphoma receptor tyrosine kinase inhibitor ASP3026 induces tumor regression and prolongs survival in non-small cell lung cancer model mice.	2014 Feb	24419060
The ALK inhibitor ASP3026 eradicates NPM-ALK⁺ T-cell anaplastic large-cell lymphoma in vitro and in a systemic xenograft lymphoma model.	2014 Jul 30	25026277

Patents

Sample Use Guides

In Vivo Use Guide

ASP-3026 should be taken at a dose 25-800 mg once daily in 28-day cycles.

Route of Administration: Oral

In Vitro Use Guide

Karpas 299, SR-786, and SU-DHL-1 cells were treated with ASP-3026 (0.5, 1.5, and 2.5 uM) for 48 h and the drug was shown to induce significant apoptosis in the cell lines.

Substance Class	Chemical Created by `admin` on `Sat Dec 16 04:51:37 UTC 2023` Edited by `admin` on `Sat Dec 16 04:51:37 UTC 2023`
Record UNII	HP4L6MXF10
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ASP-3026

Common Name

English

ASP 3026 [WHO-DD]

Common Name

English

1,3,5-TRIAZINE-2,4-DIAMINE, N2-(2-METHOXY-4-(4-(4-METHYL-1-PIPERAZINYL)-1-PIPERIDINYL)PHENYL)-N4-(2-((1-METHYLETHYL)SULFONYL)PHENYL)-

Systematic Name

English

N-(2-METHOXY-4-(4-(4-METHYLPIPERAZIN-1-YL)PIPERIDIN-1-YL)PHENYL)-N'-(2-(PROPAN-2-YLSULFONYL)PHENYL)-1,3,5-TRIAZINE-2,4-DIAMINE

Systematic Name

English

ASP3026

Code

English

Code System Code Type Description

FDA UNII

HP4L6MXF10