LUBABEGRON FUMARATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C29H29N3O3S.C4H4O4
Molecular Weight	1115.32
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C\C(O)=O.CC(C)(CC1=CC=C(OC2=NC=CC=C2C#N)C=C1)NC[C@H](O)COC3=CC=CC=C3C4=CC=CS4.CC(C)(CC5=CC=C(OC6=NC=CC=C6C#N)C=C5)NC[C@H](O)COC7=CC=CC=C7C8=CC=CS8

InChI

InChIKey=MEEKSPBNXICJNQ-CXUXXADZSA-N

InChI=1S/2C29H29N3O3S.C4H4O4/c2*1-29(2,17-21-11-13-24(14-12-21)35-28-22(18-30)7-5-15-31-28)32-19-23(33)20-34-26-9-4-3-8-25(26)27-10-6-16-36-27;5-3(6)1-2-4(7)8/h2*3-16,23,32-33H,17,19-20H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*23-;/m00./s1

HIDE SMILES / InChI

Molecular Formula	C4H4O4
Molecular Weight	116.0722
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Molecular Formula	C29H29N3O3S
Molecular Weight	499.624
Charge	0
Count

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

Description
Sources: https://www.fda.gov/AnimalVeterinary/NewsEvents/CVMUpdates/ucm625193.htm | https://xconomy.com/indiana/2018/11/07/fda-approves-elanco-cattle-drug-the-first-for-reducing-gas-emissions/

Lubabegron was initially studied in the Eli Lilly’s lab for potential applications in human health. The drug is a beta-adrenergic agonist that has the effect of increasing the breakdown of fats and increasing energy expenditure in cells. Lubabegron is the first animal drug that was approved to reduce ammonia gas emissions from an animal or its waste. These ammonia gasses can come from many sources and can affect the health of people, animals and the environment.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
beta-adrenergic receptor 2 Target ID: beta-adrenergic receptor Sources: https://xconomy.com/indiana/2018/11/07/fda-approves-elanco-cattle-drug-the-first-for-reducing-gas-emissions/	Agonist 2678

Conditions

Condition	Modality	Targets	Highest Phase	Product
ammonia gas emissions 2 Sources: https://www.fda.gov/AnimalVeterinary/NewsEvents/CVMUpdates/ucm625193.htm	Preventing		Approved 8429	Experior Approved Use drug that reduces gas emissions from an animal or its waste Launch Date 2018

Sample Use Guides

In Vivo Use Guide

fed to beef cattle under specific conditions

Route of Administration: Oral

Substance Class	Chemical Created by `admin` on `Sat Dec 16 04:54:21 GMT 2023` Edited by `admin` on `Sat Dec 16 04:54:21 GMT 2023`
Record UNII	35441865UU
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

LUBABEGRON FUMARATE

Official Name

English

BIS(2-(4-(2-(((2S)-2-HYDROXY-3-(2-(THIOPHEN-2-YL)PHENOXY)PROPYL(AMINO)-2-METHYLPROPYL)PHENOXY(PYRIDINE-3-CARBONITRILE) (2E)-BUT-2-ENEDIOATE

Common Name

English

LY-591281

Code

English

LUBABEGRON HEMIFUMARATE

Common Name

English

LUBABEGRON FUMARATE [USAN]

Common Name

English

LY591281

Code

English

3-PYRIDINECARBONITRILE, 2-(4-(2-(((2S)-2-HYDROXY-3-(2-(2-THIENYL)PHENOXY)PROPYL)AMINO)-2-METHYLPROPYL)PHENOXY)-, (2E)-2-BUTENEDIOATE (2:1) (SALT)

Common Name

English

Code System Code Type Description

CAS

391926-19-5