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Bivamelagon

CAT: 0127-BUP23866-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP23866-01Size:1 mg
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CAS Number
2641595-54-0
Synonyms
MC-4R Agonist 2
Purity
≥98%
Smiles
C (=O) (N1[C@H] (C (=O) N2CCOCC2) C[C@H] (N (C (C (C) C) =O) [C@@H]3CC[C@H] (C) CC3) C1) [C@H]4[C@@H] (CN (C (C) (C) C) C4) C5=CC=C (Cl) C=C5

Chemical Information

Bivamelagon

Bivamelagon is an orally bioavailable agonist of melanocortin-4 receptor (MC4R), with potential appetite suppressant activity that can potentially be used in the treatment of hypothalamic obesity. Upon oral administration, bivamelagon selectively targets, binds to and activates MC4R in the brain. This activates the MC4R-mediated signaling pathway and may suppress appetite, decrease caloric intake, increase energy expenditure, decrease weight gain and promote weight loss. MC4 receptors in the brain are involved in regulation of hunger, satiety, and energy expenditure.

CAS Number2641595-54-0
PubChem CID165152355
IUPAC NameN-[(3S,5S)-1-[(3S,4R)-1-tert-butyl-4-(4-chlorophenyl)pyrrolidine-3-carbonyl]-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(4-methylcyclohexyl)propanamide
Molecular FormulaC35H53ClN4O4
Molecular Weight629.3
XLogP4.9
Topological Polar Surface Area73.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count44
Formal Charge0
Complexity1010
SMILES
CC1CCC(CC1)N([C@H]2C[C@H](N(C2)C(=O)[C@@H]3CN(C[C@H]3C4=CC=C(C=C4)Cl)C(C)(C)C)C(=O)N5CCOCC5)C(=O)C(C)C
InChI
InChI=1S/C35H53ClN4O4/c1-23(2)32(41)40(27-13-7-24(3)8-14-27)28-19-31(34(43)37-15-17-44-18-16-37)39(20-28)33(42)30-22-38(35(4,5)6)21-29(30)25-9-11-26(36)12-10-25/h9-12,23-24,27-31H,7-8,13-22H2,1-6H3/t24?,27?,28-,29-,30+,31-/m0/s1
InChIKey
QLOCFNAGHBVTJD-JBHFHXMJSA-N
Chemical Structure
2D Structure
2D structure of Bivamelagon
CAS: 2641595-54-0
CID: 165152355
Formula: C35H53ClN4O4
MW: 629.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight629.3
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass628.3755339
Monoisotopic Mass628.3755339
Topological Polar Surface Area73.4 Ų
Heavy Atom Count44
Formal Charge0
Complexity1010
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T79090-01Bivamelagon
MBS5820752Bivamelagon hydrochloride
HY-153660ABivamelagon (hydrochloride)
CS-O-62171Bivamelagon-d8

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