BENTAMAPIMOD

Investigational

Details

Stereochemistry	RACEMIC
Molecular Formula	C25H23N5O2S
Molecular Weight	457.547
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

N#CC(C1=NC2=CC=CC=C2S1)C3=NC(OCC4=CC=C(CN5CCOCC5)C=C4)=NC=C3

InChI

InChIKey=XCPPIJCBCWUBNT-UHFFFAOYSA-N

InChI=1S/C25H23N5O2S/c26-15-20(24-28-22-3-1-2-4-23(22)33-24)21-9-10-27-25(29-21)32-17-19-7-5-18(6-8-19)16-30-11-13-31-14-12-30/h1-10,20H,11-14,16-17H2

HIDE SMILES / InChI

Description

Bentamapimod (AS602801) a newly developed, orally-active, ATP competitive inhibitor of JNK, which is in phase IIa clinical trials for the treatment of endometriosis. Bentamapimod showed selective cytotoxic activity against serum-cultured cancer cells and cancer stem cells in vitro. It blocks T-cell proliferation and induces apoptosis. Bentamapimod was discovered by Merck Serono. Then PregLem (a member of the Richter Group) acquired worldwide rights in 2010.

CNS Activity

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
c-Jun N-terminal kinase 1 8	Inhibitor 8,504

Conditions

Condition	Modality	Targets	Highest Phase	Product
Inflammatory endometriosis 1	Primary		Phase II 1,147	Unknown

C_max

Value	Dose	Co-administered	Analyte	Population
1100 ng/mL	20 mg single, oral		BENTAMAPIMOD plasma	Papio anubis

T_1/2

Value	Dose	Co-administered	Analyte	Population
6 h	20 mg single, oral		BENTAMAPIMOD plasma	Papio anubis

Sourcing

Sourcing

Show entries

Vendor/Aggregator	ID	URL
001 Chemical	DY559441	https://www.001chemical.com/chem/541507-14-6
AA Blocks	AA00G3KR	https://www.aablocks.com/goods/Goods/detail?id=AA00G3KR
AbMole Bioscience	M8921	http://www.abmole.com/products/bentamapimod.html
Achemtek	0102-013344	http://www.achemtek.com/848344-36-5
AK Scientific, Inc. (AKSCI)	3453AH	http://www.aksci.com/item_detail.php?cat=3453AH

Showing 1 to 5 of 39 entries

Previous1 2 3 4 5…8Next

PubMed

Title	Date	PubMed
No data available in table

Patents

Sample Use Guides

In Vivo Use Guide

320mg/day (160 mg twice a day) for 8 weeks

Route of Administration: Oral

In Vitro Use Guide

Bentamapimod (AS602801) treatment induced cell death and accordingly decreased the number of viable cells in three cell lines (PANC-1, pancreatic cancer; A594, lung cancer; A2780, ovarian cancer) in a dose-dependent manner (7.5 uM being most effective)

Show entries

Name

Type

Language

BENTAMAPIMOD

Official Name

English

AS-602801

Preferred Name

English

AS602801

Code

English

bentamapimod [INN]

Common Name

English

2-(1,3-BENZOTHIAZOL-2-YL)-2-(2-((4-((MORPHOLIN-4-YL)METHYL)PHENYL)METHOXY)PYRIMIDIN-4-YL)ACETONITRILE

Systematic Name

English

Showing 1 to 5 of 8 entries

Previous1 2Next

Show entries

Classification Tree

Code System

Code

Protein Kinase Inhibitor

NCI_THESAURUS

C2149

Showing 1 to 1 of 1 entries

Previous1Next

Show entries

Code System

Code

Type

Description

FDA UNII

TT3L4B4U0N

PRIMARY

CAS

848344-36-5

PRIMARY

INN

8919

PRIMARY

PUBCHEM

10195250

PRIMARY

EPA CompTox

DTXSID401005116

PRIMARY

Showing 1 to 5 of 8 entries

Previous1 2Next

ACTIVE MOIETY


					TT3L4B4U0N

BENTAMAPIMOD

SMILES

InChI

CNS Activity

Originator

Approval Year

Targets

Conditions

Cmax

T1/2

Sourcing

PubMed

Patents

Sample Use Guides

C_max

T_1/2