TAK-070

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H31NO.ClH.H2O
Molecular Weight	440.017
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.Cl.CN(C)CC[C@@H]1CCC2=CC(OCC3=CC=C(C=C3)C4=CC=CC=C4)=CC=C2C1

InChI

InChIKey=VBMPTAUGUUBFJK-FGJQBABTSA-N

InChI=1S/C27H31NO.ClH.H2O/c1-28(2)17-16-21-8-13-26-19-27(15-14-25(26)18-21)29-20-22-9-11-24(12-10-22)23-6-4-3-5-7-23;;/h3-7,9-12,14-15,19,21H,8,13,16-18,20H2,1-2H3;1H;1H2/t21-;;/m0../s1

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

Molecular Formula	C27H31NO
Molecular Weight	385.5411
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
A noncompetitive BACE1 inhibitor TAK-070 ameliorates Abeta pathology and behavioral deficits in a mouse model of Alzheimer's disease.	2010 Aug 18	20720123

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:40:43 GMT 2023` Edited by `admin` on `Fri Dec 15 15:40:43 GMT 2023`
Record UNII	EAC604ZY07
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

TAK-070

Common Name

English

6-((1,1'-BIPHENYL)-4-YLMETHOXY)-1,2,3,4-TETRAHYDRO-N,N'-DIMETHYL-2-NAPTHALENEETHANAMINE HYDROCHLORIDE MONOHYDRATE, R-

Common Name

English

Code System Code Type Description

PUBCHEM

23519711

Created by admin on Fri Dec 15 15:40:43 GMT 2023 , Edited by admin on Fri Dec 15 15:40:43 GMT 2023

PRIMARY

CAS

365276-12-6

Created by admin on Fri Dec 15 15:40:43 GMT 2023 , Edited by admin on Fri Dec 15 15:40:43 GMT 2023

PRIMARY

FDA UNII

EAC604ZY07

Created by admin on Fri Dec 15 15:40:43 GMT 2023 , Edited by admin on Fri Dec 15 15:40:43 GMT 2023

PRIMARY

CAS

1613380-82-7

Created by admin on Fri Dec 15 15:40:43 GMT 2023 , Edited by admin on Fri Dec 15 15:40:43 GMT 2023

NO STRUCTURE GIVEN

Related Record Type Details


					PNM9E64544

TAK-070 FREE BASE

PARENT -> SALT/SOLVATE