N-(4-(3-((BENZYL(METHYL)AMINO)METHYL)-7-((2,6-DIFLUOROPHENYL)METHYL)-5-(2-METHYLPROPANOYL)-4-OXO-4H,7H-THIENO(2,3-B)PYRIDIN-2-YL)PHENYL)-1-HYDROXYCYCLOPROPANE-1-CARBOXAMIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C37H35F2N3O4S
Molecular Weight	655.753
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-(4-(3-((BENZYL(METHYL)AMINO)METHYL)-7-((2,6-DIFLUOROPHENYL)METHYL)-5-(2-METHYLPROPANOYL)-4-OXO-4H,7H-THIENO(2,3-B)PYRIDIN-2-YL)PHENYL)-1-HYDROXYCYCLOPROPANE-1-CARBOXAMIDE

Structure Search

SMILES

CC(C)C(=O)C1=CN(CC2=C(F)C=CC=C2F)C3=C(C(CN(C)CC4=CC=CC=C4)=C(S3)C5=CC=C(NC(=O)C6(O)CC6)C=C5)C1=O

InChI

InChIKey=NWNSIURBDQNMCZ-UHFFFAOYSA-N

InChI=1S/C37H35F2N3O4S/c1-22(2)32(43)28-21-42(20-26-29(38)10-7-11-30(26)39)35-31(33(28)44)27(19-41(3)18-23-8-5-4-6-9-23)34(47-35)24-12-14-25(15-13-24)40-36(45)37(46)16-17-37/h4-15,21-22,46H,16-20H2,1-3H3,(H,40,45)

HIDE SMILES / InChI

Molecular Formula	C37H35F2N3O4S
Molecular Weight	655.753
Charge	0
Count

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

Approval Year

PubMed

Title	Date	PubMed
Design, synthesis, and structure-activity relationships of thieno[2,3-b]pyridin-4-one derivatives as a novel class of potent, orally active, non-peptide luteinizing hormone-releasing hormone receptor antagonists.	2006-06-29	16789738

Patents

Substance Class	Chemical Created by `admin` on `Tue Apr 01 17:00:12 GMT 2025` Edited by `admin` on `Tue Apr 01 17:00:12 GMT 2025`
Record UNII	2GGV6T2C5B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TAK-810

Preferred Name

English

N-(4-(3-((BENZYL(METHYL)AMINO)METHYL)-7-((2,6-DIFLUOROPHENYL)METHYL)-5-(2-METHYLPROPANOYL)-4-OXO-4H,7H-THIENO(2,3-B)PYRIDIN-2-YL)PHENYL)-1-HYDROXYCYCLOPROPANE-1-CARBOXAMIDE

Systematic Name

English

3-(N-BENZYL-N-METHYLAMINOMETHYL)-4,7-DIHYDRO-5-ISOBUTYRYL-7-(2,6-DIFLUOROBENZYL)-2-(4-(1-HYDROXYCYCLOPROPYL)CARBONYLAMINO)PHENYL)-4-OXOTHIENO(2,3-B)PYRIDINE

Systematic Name

English

CYCLOPROPANECARBOXAMIDE, N-(4-(7-((2,6-DIFLUOROPHENYL)METHYL)-4,7-DIHYDRO-5-(2-METHYL-1-OXOPROPYL)-3-((METHYL(PHENYLMETHYL)AMINO)METHYL)-4-OXOTHIENO(2,3-B)PYRIDIN-2-YL)PHENYL)-1-HYDROXY-

Systematic Name

English

N-(4-(3-((BENZYL(METHYL)AMINO)METHYL)-7-((2,6-DIFLUOROPHENYL)METHYL)-5-(2-METHYLPROPANOYL)-4-OXO-THIENO(2,3-B)PYRIDIN-2-YL)PHENYL)-1-HYDROXY-CYCLOPROPANECARBOXAMIDE

Systematic Name

English

TAK810

Code

English

Code System Code Type Description

CAS

253433-89-5

Created by admin on Tue Apr 01 17:00:12 GMT 2025 , Edited by admin on Tue Apr 01 17:00:12 GMT 2025

PRIMARY

PUBCHEM

9939511

Created by admin on Tue Apr 01 17:00:12 GMT 2025 , Edited by admin on Tue Apr 01 17:00:12 GMT 2025

PRIMARY

FDA UNII

2GGV6T2C5B

Created by admin on Tue Apr 01 17:00:12 GMT 2025 , Edited by admin on Tue Apr 01 17:00:12 GMT 2025

PRIMARY

Related Record Type Details


					2GGV6T2C5B

N-(4-(3-((BENZYL(METHYL)AMINO)METHYL)-7-((2,6-DIFLUOROPHENYL)METHYL)-5-(2-METHYLPROPANOYL)-4-OXO-4H,7H-THIENO(2,3-B)PYRIDIN-2-YL)PHENYL)-1-HYDROXYCYCLOPROPANE-1-CARBOXAMIDE

ACTIVE MOIETY

Comments:

Class: Antihormone, Small molecule; Mechanism of Action: Gonadotropin releasing hormone inhibitor; Highest Development Phase: Discontinued for Endometriosis and Prostate cancer; Most Recent Events: 07 Feb 2007 Discontinued - Phase-I for Endometriosis in Japan (PO), 07 Feb 2007 Discontinued - Phase-I for Prostate cancer in Japan (PO)