Setmelanotide acetate

cas: 1504602-49-6 — see every product listed under this CAS number, including other names

Setmelanotide acetate (CAS 1504602-49-6) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 5mg, 25mg, 50mg, 100mg. Offered by: Biosynth.

brandBiosynth
catalog numberEKC60249-10mg
cas1504602-49-6
size10mg
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properties

categoryLife Sciences
sub-category 1Ligands
purityNo data
delivery time1-2 weeks
Structural formula: {0} (CAS {1})

(4R,7S,10S,13R,16S,19R,22R)-22-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricosane-4-carboxamide;acetic acid (CAS 1504602-49-6) is a chemical compound with the molecular formula C55H80N18O15S2 and a molecular weight of 1297.5 g/mol. IUPAC name: (4R,7S,10S,13R,16S,19R,22R)-22-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricosane-4-carboxamide;acetic acid. InChIKey: PILXXDANZBQUJH-AKVBKPKISA-N.

Identity
Molecular formulaC55H80N18O15S2
Molecular weight1297.5 g/mol
IUPAC name(4R,7S,10S,13R,16S,19R,22R)-22-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricosane-4-carboxamide;acetic acid
InChIKeyPILXXDANZBQUJH-AKVBKPKISA-N
SMILESC[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)C)C(=O)N)CC2=CNC3=CC=CC=C32)CCCN=C(N)N)CC4=CC=CC=C4)CC5=CN=CN5.CC(=O)O.CC(=O)O.CC(=O)O

Computed by PubChem (NCBI)

Synonyms: Setmelanotide acetate, Imcivree, Setmelanotide acetate?, orb1568332, orb3032953, SETMELANOTIDE ACETATE [WHO-DD], SETMELANOTIDE ACETATE [ORANGE BOOK]

Also listed as

Setmelanotide acetate, min. 95 %, 5 mg Roth CAS 1504602-49-6
Setmelanotide acetate, min. 95 %, 10 mg Roth CAS 1504602-49-6
Setmelanotide acetate, min. 95 %, 25 mg Roth CAS 1504602-49-6