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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H32N4O4.C4H6O4
Molecular Weight 642.6982
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LY-377604 HEMISUCCINATE

SMILES

OC(=O)CCC(O)=O.CC(C)(CC1=CC=C(OC2=CC=C(C=N2)C(N)=O)C=C1)NC[C@H](O)COC3=CC=CC4=C3C5=C(N4)C=CC=C5

InChI

InChIKey=VETOWAAOXIOBAQ-FTBISJDPSA-N
InChI=1S/C31H32N4O4.C4H6O4/c1-31(2,16-20-10-13-23(14-11-20)39-28-15-12-21(17-33-28)30(32)37)34-18-22(36)19-38-27-9-5-8-26-29(27)24-6-3-4-7-25(24)35-26;5-3(6)1-2-4(7)8/h3-15,17,22,34-36H,16,18-19H2,1-2H3,(H2,32,37);1-2H2,(H,5,6)(H,7,8)/t22-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C31H32N4O4
Molecular Weight 524.6102
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C4H6O4
Molecular Weight 118.088
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

LY377604 is a human β3-adrenergic receptor agonist and β1- and β2-adrenergic receptor antagonist with no sympathomimetic activity at the β1- and β2-adrenergic receptors. Combination of LY377604 and a norepinephrine-serotonin uptake inhibitor (sibutramine) was studied in the treatment of obesity. LY377604 would ameliorate side effect of sibutramine treatment (increase in blood pressure and heart rate due to activation of the sympathetic nervous system).

Originator

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
2.4 nM [EC50]
23.0 pM [Ki]
12.0 pM [Ki]
PubMed

PubMed

TitleDatePubMed
Combination of a Beta adrenoceptor modulator and a norepinephrine-serotonin uptake inhibitor for the treatment of obesity.
2011 Aug 11
The fate of 4-hydroxycarbazole metabolite: metabolism and carcinogenicity assessment of a β-adrenergic receptor modulator containing carbazole structure.
2011 Dec
Substance Class Chemical
Created
by admin
on Tue Oct 22 14:05:43 UTC 2019
Edited
by admin
on Tue Oct 22 14:05:43 UTC 2019
Record UNII
E9VKF1I67D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LY-377604 HEMISUCCINATE
Common Name English
BUTANEDIOIC ACID, COMPD. WITH (S)-6-(4-(2-((3-(9H-CARBAZOL-4-YLOXY)-2-HYDROXYPROPYL)AMINO)-2-METHYLPROPYL)PHENOXY)-3-PYRIDINECARBOXAMIDE (1:2)
Common Name English
Code System Code Type Description
EPA CompTox
204593-36-2
Created by admin on Tue Oct 22 14:05:43 UTC 2019 , Edited by admin on Tue Oct 22 14:05:43 UTC 2019
PRIMARY
CAS
204593-36-2
Created by admin on Tue Oct 22 14:05:43 UTC 2019 , Edited by admin on Tue Oct 22 14:05:43 UTC 2019
PRIMARY
PUBCHEM
16081026
Created by admin on Tue Oct 22 14:05:43 UTC 2019 , Edited by admin on Tue Oct 22 14:05:43 UTC 2019
PRIMARY
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ACTIVE MOIETY