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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 of BEDORADRINE SULFATE

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

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.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: P07550|||Q53GA6|||Q9UCZ3
Gene ID: 154.0
Gene Symbol: ADRB2
Target Organism: Homo sapiens (Human)
PubMed

PubMed

TitleDatePubMed
Effects of KUR-1246, a selective uterine relaxant, on transplacental passage and transmigration to milk.
2006 Feb
Patents

Patents

Sample Use Guides

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
  • Download
Name Type Language
BEDORADRINE SULFATE
USAN  
USAN  
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
Created by admin on Fri Dec 15 15:38:03 GMT 2023 , Edited by admin on Fri Dec 15 15:38:03 GMT 2023
Code System Code Type Description
SMS_ID
100000174949
Created by admin on Fri Dec 15 15:38:03 GMT 2023 , Edited by admin on Fri Dec 15 15:38:03 GMT 2023
PRIMARY
CAS
194785-31-4
Created by admin on Fri Dec 15 15:38:03 GMT 2023 , Edited by admin on Fri Dec 15 15:38:03 GMT 2023
PRIMARY
EPA CompTox
DTXSID40433338
Created by admin on Fri Dec 15 15:38:03 GMT 2023 , Edited by admin on Fri Dec 15 15:38:03 GMT 2023
PRIMARY
DRUG BANK
DBSALT001988
Created by admin on Fri Dec 15 15:38:03 GMT 2023 , Edited by admin on Fri Dec 15 15:38:03 GMT 2023
PRIMARY
FDA UNII
P875C0DV2V
Created by admin on Fri Dec 15 15:38:03 GMT 2023 , Edited by admin on Fri Dec 15 15:38:03 GMT 2023
PRIMARY
PUBCHEM
9963056
Created by admin on Fri Dec 15 15:38:03 GMT 2023 , Edited by admin on Fri Dec 15 15:38:03 GMT 2023
PRIMARY
NCI_THESAURUS
C77933
Created by admin on Fri Dec 15 15:38:03 GMT 2023 , Edited by admin on Fri Dec 15 15:38:03 GMT 2023
PRIMARY
USAN
RR-91
Created by admin on Fri Dec 15 15:38:03 GMT 2023 , Edited by admin on Fri Dec 15 15:38:03 GMT 2023
PRIMARY
ChEMBL
CHEMBL2111083
Created by admin on Fri Dec 15 15:38:03 GMT 2023 , Edited by admin on Fri Dec 15 15:38:03 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY