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LY-377604 hemisuccinate

CAT: 0013-GTR19241652-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241652-01Size:50 mg
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Description
LY 377604 is a dual-action small molecule featuring β3-adrenergic agonism and β1/β2-adrenergic antagonism. It has demonstrated potential in metabolic research, promoting energy expenditure and fat oxidation in rodent models while reducing glycemia and body fat.
CAS Number
204593-36-2
Smiles
NC (C (C=N1) =CC=C1OC (C=C2) =CC=C2CC (C) (C) NC[C@H] (O) COC3=C4C5=CC=CC=C5NC4=CC=C3) =O.OC (CCC (O) =O) =O.NC (C (C=N6) =CC=C6OC (C=C7) =CC=C7CC (C) (C) NC[C@H] (O) COC8=C9C%10=CC=CC=C%10NC9=CC=C8) =O
Molecular Formula
C31H32N4O4 1/2C4H6O4
Molecular Weight
583.66
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

LY-377604 hemisuccinate
CAS Number204593-36-2
PubChem CID16081026
IUPAC Namebutanedioic acid;6-[4-[2-[[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide
Molecular FormulaC35H38N4O8
Molecular Weight642.7
Topological Polar Surface Area197
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count14
Heavy Atom Count47
Formal Charge0
Complexity881
SMILES
CC(C)(CC1=CC=C(C=C1)OC2=NC=C(C=C2)C(=O)N)NC[C@@H](COC3=CC=CC4=C3C5=CC=CC=C5N4)O.C(CC(=O)O)C(=O)O
InChI
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
InChIKey
VETOWAAOXIOBAQ-FTBISJDPSA-N
Chemical Structure
2D Structure
2D structure of LY-377604 hemisuccinate
CAS: 204593-36-2
CID: 16081026
Formula: C35H38N4O8
MW: 642.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight642.7
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count14
Exact Mass642.26896418
Monoisotopic Mass642.26896418
Topological Polar Surface Area197 Ų
Heavy Atom Count47
Formal Charge0
Complexity881
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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