BEDORADRINE SULFATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C24H32N2O5.H2O4S
Molecular Weight	955.121
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OS(O)(=O)=O.CN(C)C(=O)COC1=CC2=C(CC[C@@H](C2)NC[C@H](O)C3=CC(CCO)=C(O)C=C3)C=C1.CN(C)C(=O)COC4=CC5=C(CC[C@@H](C5)NC[C@H](O)C6=CC(CCO)=C(O)C=C6)C=C4

InChI

InChIKey=VPCOODFYDJWLHD-YMZXMBPUSA-N

InChI=1S/2C24H32N2O5.H2O4S/c2*1-26(2)24(30)15-31-21-7-4-16-3-6-20(12-19(16)13-21)25-14-23(29)17-5-8-22(28)18(11-17)9-10-27;1-5(2,3)4/h2*4-5,7-8,11,13,20,23,25,27-29H,3,6,9-10,12,14-15H2,1-2H3;(H2,1,2,3,4)/t2*20-,23-;/m00./s1

HIDE SMILES / InChI

Molecular Formula	H2O4S
Molecular Weight	98.078
Charge	0
Count

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

Molecular Formula	C24H32N2O5
Molecular Weight	428.5213
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/26324315 | https://www.kissei.co.jp/e_contents/relation/annual_report/uploaded/kissei_ar2013.pdf | https://clinicaltrials.gov/ct2/show/NCT01551316

Bedoradrine (also known as KUR-1246 or MN-221), an ultra selective beta 2-adrenoceptor agonist, that participated in phase II clinical trials as an adjunct to standard therapy in the management of patients with acute exacerbation of asthma who did not respond to standard therapy. In addition, the drug was involved in trials for the treatment of preterm labor in obstetrical practice. Bedoradrine is also was studied in phase I of clinical trials for its use for treating chronic obstructive pulmonary disease, however, the efficacy for this disease was uncertain.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Beta-2 adrenergic receptor 203 Target ID: P07550\|\|\|Q53GA6\|\|\|Q9UCZ3 Gene ID: 154.0 Gene Symbol: ADRB2 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/19527375	Agonist 2678

PubMed

Title	Date	PubMed
KUR-1246, a novel beta(2)-adrenoceptor agonist, as a tocolytic agent.	2002 Sep	12220768
Effects of long term administration of KUR-1246, a selective beta(2)-adrenoceptor agonist, on pregnant sheep and their fetuses.	2005 Jan	15663400
Cardiovascular effects of KUR-1246, a new tetrahydronaphthalen derivative beta2-adrenoceptor agonist and a selective uterine relaxant.	2006	16478001
Effects of KUR-1246, a selective uterine relaxant, on transplacental passage and transmigration to milk.	2006 Feb	16445519
Investigation of beta(2)-adrenoceptor subtype selectivity and organ specificity for bedoradrine (KUR-1246), a novel tocolytic beta-adrenergic receptor stimulant.	2009 Jun	19527375

Patents

Sample Use Guides

In Vivo Use Guide

Initial dose: 16 μg/min for 15 minutes followed by 8 μg/min for 105 minutes (2-hour infusion with a total dose of 1,080 μg) Subsequent dose: 30 μg/min for 15 minutes followed by 15 μg/min for 45 minutes (1-hr infusion with a total dose of 1,125 μg).

Route of Administration: Intravenous

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:38:03 GMT 2023` Edited by `admin` on `Fri Dec 15 15:38:03 GMT 2023`
Record UNII	P875C0DV2V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BEDORADRINE SULFATE

Official Name

English

ACETAMIDE, N,N-DIMETHYL-2-(((7S)-5,6,7,8-TETRAHYDRO-7-(((2R)-2-HYDROXY-2-(4-HYDROXY-3-(2-HYDROXYETHYL)PHENYL)ETHYL)AMINO)-2-NAPHTHALENYL)OXY)-, SULPHATE (2:1) (SALT)

Common Name

English

BIS(2-(((7S)-7-(((2R)-2-HYDROXY-2-(4-HYDROXY-3-(2-HYDROXYETHYL)PHENYL)ETHYL)AMINO)-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)OXY)-N,N-DIMETHYLACETAMIDE) SULPHATE

Common Name

English

KUR-1246

Code

English

BEDORADRINE SULPHATE

Common Name

English

Bis[2-[[(7S)-7-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(2-hydroxyethyl)phenyl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N,N-dimethylacetamide] sulfate

Common Name

English

ACETAMIDE, N,N-DIMETHYL-2-(((7S)-5,6,7,8-TETRAHYDRO-7-(((2R)-2-HYDROXY-2-(4-HYDROXY-3-(2-HYDROXYETHYL)PHENYL)ETHYL)AMINO)-2-NAPHTHALENYL)OXY)-, SULFATE (2:1) (SALT)

Common Name

English

BEDORADRINE SULFATE [USAN]

Common Name

English

KUR-1246 MONOSULPHATE

Code

English

MN-221

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C48149