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AMG-076

CAT: 0013-GTR19201168-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201168-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AMG-076 is a selective MCHR1 antagonist with reduced hERG channel inhibition. This profile makes it a useful research tool for investigating energy homeostasis and sleep regulation in both cellular and animal models.
CAS Number
1001438-96-5
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
S (=O) (=O) (O) C1=CC=CC=C1.C[C@H]1C=2C=3C (NC2C[C@@]4 ([C@@]1 (CN (CCC5 (C (O) =O) CCCCC5) CC4) [H]) [H]) =CC=C (C (F) (F) F) C3
Molecular Formula
C32H39F3N2O5S
Molecular Weight
620.72
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Amg 076

a potent melanin-concentrating hormone-r1 antagonist for the treatment of obesity; structure in first source

CAS Number1001438-96-5
PubChem CID23642854
IUPAC Name1-[2-[(4aR,11R,11aS)-11-methyl-9-(trifluoromethyl)-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazol-2-yl]ethyl]cyclohexane-1-carboxylic acid;benzenesulfonic acid
Molecular FormulaC32H39F3N2O5S
Molecular Weight620.7
Topological Polar Surface Area119
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count43
Formal Charge0
Complexity906
SMILES
C[C@@H]1[C@H]2CN(CC[C@@H]2CC3=C1C4=C(N3)C=CC(=C4)C(F)(F)F)CCC5(CCCCC5)C(=O)O.C1=CC=C(C=C1)S(=O)(=O)O
InChI
InChI=1S/C26H33F3N2O2.C6H6O3S/c1-16-20-15-31(12-10-25(24(32)33)8-3-2-4-9-25)11-7-17(20)13-22-23(16)19-14-18(26(27,28)29)5-6-21(19)30-22;7-10(8,9)6-4-2-1-3-5-6/h5-6,14,16-17,20,30H,2-4,7-13,15H2,1H3,(H,32,33);1-5H,(H,7,8,9)/t16-,17-,20-;/m1./s1
InChIKey
IBDOVKSLMMFQPJ-IUPOGUASSA-N
Chemical Structure
2D Structure
2D structure of Amg 076
CAS: 1001438-96-5
CID: 23642854
Formula: C32H39F3N2O5S
MW: 620.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight620.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass620.25317801
Monoisotopic Mass620.25317801
Topological Polar Surface Area119 Ų
Heavy Atom Count43
Formal Charge0
Complexity906
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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