Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C49H68N18O9S2.3C2H4O2 |
| Molecular Weight | 1297.465 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 8 / 8 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(O)=O.CC(O)=O.CC(O)=O.C[C@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CC4=CC=CC=C4)NC(=O)[C@H](CC5=CN=CN5)NC1=O)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O
InChI
InChIKey=PILXXDANZBQUJH-AKVBKPKISA-N
InChI=1S/C49H68N18O9S2.3C2H4O2/c1-26-41(70)63-37(20-30-22-55-25-59-30)46(75)64-35(18-28-10-4-3-5-11-28)44(73)62-34(15-9-17-57-49(53)54)43(72)65-36(19-29-21-58-32-13-7-6-12-31(29)32)45(74)66-38(40(50)69)23-77-78-24-39(47(76)60-26)67-42(71)33(61-27(2)68)14-8-16-56-48(51)52;3*1-2(3)4/h3-7,10-13,21-22,25-26,33-39,58H,8-9,14-20,23-24H2,1-2H3,(H2,50,69)(H,55,59)(H,60,76)(H,61,68)(H,62,73)(H,63,70)(H,64,75)(H,65,72)(H,66,74)(H,67,71)(H4,51,52,56)(H4,53,54,57);3*1H3,(H,3,4)/t26-,33+,34+,35-,36+,37+,38+,39+;;;/m1.../s1
| Molecular Formula | C2H4O2 |
| Molecular Weight | 60.052 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C49H68N18O9S2 |
| Molecular Weight | 1117.309 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 8 / 8 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Setmelanotide (RM-493), is an investigational, first-in-class melanocortin-4 receptor (MC4R) agonist in development for the treatment of rare genetic disorders of obesity. Setmelanotide is thought to activate the MC4R, part of a key biological pathway in humans that regulates weight by increasing energy expenditure and reducing appetite. Variants in genes within the MC4 pathway are associated with unrelenting hunger, known as hyperphagia, and severe, early-onset obesity. Setmelanotide is a potential replacement therapy that may restore lost activity in the MC4 pathway, reestablishing weight and appetite control in patients with these rare genetic disorders.
Originator
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Chronic treatment with a melanocortin-4 receptor agonist causes weight loss, reduces insulin resistance, and improves cardiovascular function in diet-induced obese rhesus macaques. | 2013 Feb |
|
| Insights into the Allosteric Mechanism of Setmelanotide (RM-493) as a Potent and First-in-Class Melanocortin-4 Receptor (MC4R) Agonist To Treat Rare Genetic Disorders of Obesity through an in Silico Approach. | 2019 Mar 20 |
Sample Use Guides
Bardet-Biedl Syndrome (BBS) and Alström Syndrome (AS) patients with moderate to severe obesity:
Subcutaneous injection, 3 mg, daily
Route of Administration:
Other
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 16:05:16 UTC 2023
by
admin
on
Sat Dec 16 16:05:16 UTC 2023
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| Record UNII |
224I1W20I7
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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224I1W20I7
Created by
admin on Sat Dec 16 16:05:16 UTC 2023 , Edited by admin on Sat Dec 16 16:05:16 UTC 2023
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PRIMARY | |||
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1504602-49-6
Created by
admin on Sat Dec 16 16:05:16 UTC 2023 , Edited by admin on Sat Dec 16 16:05:16 UTC 2023
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NON-SPECIFIC STOICHIOMETRY | |||
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2469248
Created by
admin on Sat Dec 16 16:05:16 UTC 2023 , Edited by admin on Sat Dec 16 16:05:16 UTC 2023
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PRIMARY | |||
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155491122
Created by
admin on Sat Dec 16 16:05:16 UTC 2023 , Edited by admin on Sat Dec 16 16:05:16 UTC 2023
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PRIMARY | PUBCHEM |
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ACTIVE MOIETY |
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