TD-5471

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H31N3O4
Molecular Weight	521.6062
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(C=C(NC2=CC=C(CCNC[C@H](O)C3=CC=C(O)C4=C3C=CC(=O)N4)C=C2)C=C1)C5=CC=CC=C5

InChI

InChIKey=LGFPFBZHAODPHC-LJAQVGFWSA-N

InChI=1S/C32H31N3O4/c1-39-30-15-11-24(19-27(30)22-5-3-2-4-6-22)34-23-9-7-21(8-10-23)17-18-33-20-29(37)25-12-14-28(36)32-26(25)13-16-31(38)35-32/h2-16,19,29,33-34,36-37H,17-18,20H2,1H3,(H,35,38)/t29-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C32H31N3O4
Molecular Weight	521.6062
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:56:17 GMT 2023` Edited by `admin` on `Sat Dec 16 11:56:17 GMT 2023`
Record UNII	M37E3NE7QB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TD-5471

Code

English

2(1H)-QUINOLINONE, 8-HYDROXY-5-((1R)-1-HYDROXY-2-((2-(4-((6-METHOXY(1,1'-BIPHENYL)-3-YL)AMINO)PHENYL)ETHYL)AMINO)ETHYL)-

Systematic Name

English

TD5471

Code

English

N-(2-(4-((3-PHENYL-4-METHOXYPHENYL)AMINO)PHENYL)ETHYL)-(R)-2-HYDROXY-2-(8-HYDROXY-1,2-DIHYDRO-2-OXOQUINOLIN-5-YL)ETHYLAMINE

Systematic Name

English

8-HYDROXY-5-((1R)-1-HYDROXY-2-((2-(4-((6-METHOXY(1,1'-BIPHENYL)-3-YL)AMINO)PHENYL)ETHYL)AMINO)ETHYL)-2(1H)-QUINOLINONE

Systematic Name

English

Code System Code Type Description

PUBCHEM

9871386

Created by admin on Sat Dec 16 11:56:17 GMT 2023 , Edited by admin on Sat Dec 16 11:56:17 GMT 2023

PRIMARY

CAS

530084-87-8

Created by admin on Sat Dec 16 11:56:17 GMT 2023 , Edited by admin on Sat Dec 16 11:56:17 GMT 2023

PRIMARY

EPA CompTox

DTXSID30432118

Created by admin on Sat Dec 16 11:56:17 GMT 2023 , Edited by admin on Sat Dec 16 11:56:17 GMT 2023

PRIMARY

FDA UNII

M37E3NE7QB

Created by admin on Sat Dec 16 11:56:17 GMT 2023 , Edited by admin on Sat Dec 16 11:56:17 GMT 2023

PRIMARY

Related Record Type Details


					M37E3NE7QB

TD-5471

ACTIVE MOIETY

Comments:

TD-5471 (25), a potent and selective full agonist of the human .BETA.2-adrenoceptor, was identified as the most promising agent. It is potent, with slow onset in an in vitro guinea pig trachea model and shows a dose-dependent and long duration of action in an in vivo guinea pig model of bronchoprotection. TD-5471 is structurally differentiated from milveterol and its long duration of action is consistent with a correlation with hydrophobicity observed in other long-acting .BETA.2-agonist discovery programs.


					M37E3NE7QB

TD-5471

ACTIVE MOIETY

Comments:

Originator: Theravance Biopharma; Mechanism of Action: Beta 2 adrenergic receptor agonist; Orphan Drug Status: No; On Fast track: No; New Molecular Entity: Yes; Highest Development Phase: No development reported for Asthma, Chronic obstructive pulmonary disease; Most Recent Event: 16 May 2016 Chemical information added