Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D00888)
Name
Bremelanotide
Synonyms    Click to Show/Hide the Synonyms of This API
Bremelanotide; PT-141; 189691-06-3; UNII-6Y24O4F92S; 6Y24O4F92S; Vyleesi; Vyleesi (TN); (3S,6S,9R,12S,15S,23S)-12-((1H-imidazol-5-yl)methyl)-3-((1H-indol-3-yl)methyl)-15-((S)-2-acetamidohexanamido)-9-benzyl-6-(3-guanidinopropyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexaazacyclotricosane-23-carboxylic acid; Bremelanotide [USAN:INN]; Bremelanotide, PT-141; Bremelanotide (USAN/INN); PT-141 FREE BASE; CHEMBL2070241; SCHEMBL13574795; SCHEMBL20337333; GTPL10408; DTXSID40893711; PT141; 189691-06-3 (free base); BDBM50389769; AKOS005145807; DB11653; HS-2024; D06569; Q415353; Q-200747; (1Z,3S,4Z,6S,7Z,9R,10E,12S,13Z,15S,17E,23S)-12-((1H-imidazol-5-yl)methyl)-3-((1H-indol-3-yl)methyl)-9-benzyl-6-(3-guanidinopropyl)-2,5,8,11,14,17-hexahydroxy-15-(((S,Z)-1-hydroxy-2-(((Z)-1-hydroxyethylidene)amino)hexylidene)amino)-1,4,7,10,13,18-hexaazacyclotricosa-1,4,7,10,13,17-hexaene-23-carboxylic acid; (3S,6S,9R,12S,15S,23S)-15-[[(2S)-2-acetamidohexanoyl]amino]-9-benzyl-6-[3-(diaminomethylideneamino)propyl]-12-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexazacyclotricosane-23-carboxylic acid; L-Lysine, N-acetyl-L-norleucyl-L-alpha-aspartyl-L-histidyl-D-phenylalanyl-L-arginyl-L-tryptophyl-, (2->7)-lactam; N-Acetyl-L-2-aminohexanoyl-L-alpha-aspartyl-L-histidyl-D-phenylalanyl-L-arginyl-L-tryptophyl-L-lysine-(2->7)-lactam
Clinical Status
Approved
PubChem CID
9941379
Formula
C50H68N14O10
Canonical SMILES
CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CC2=CN=CN2)CC3=CC=CC=C3)CCCN=C(N)N)CC4=CNC5=CC=CC=C54)C(=O)O)NC(=O)C
InChI
1S/C50H68N14O10/c1-3-4-16-35(58-29(2)65)43(67)64-41-25-42(66)54-20-11-10-18-37(49(73)74)60-46(70)39(23-31-26-56-34-17-9-8-15-33(31)34)62-44(68)36(19-12-21-55-50(51)52)59-45(69)38(22-30-13-6-5-7-14-30)61-47(71)40(63-48(41)72)24-32-27-53-28-57-32/h5-9,13-15,17,26-28,35-41,56H,3-4,10-12,16,18-25H2,1-2H3,(H,53,57)(H,54,66)(H,58,65)(H,59,69)(H,60,70)(H,61,71)(H,62,68)(H,63,72)(H,64,67)(H,73,74)(H4,51,52,55)/t35-,36-,37-,38+,39-,40-,41-/m0/s1
InChIKey
FFHBJDQSGDNCIV-MFVUMRCOSA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This API
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=9941379"></iframe>
3D MOL is unavailable 2D MOL
Physicochemical Properties Molecular Weight 1025.2 Topological Polar Surface Area 379
XlogP 0.7 Complexity 1950
Heavy Atom Count 74 Rotatable Bond Count 17
Hydrogen Bond Donor Count 13 Hydrogen Bond Acceptor Count 12
Full List of Drug Formulations (DFMs) Containing This API
          Bremelanotide 1.75 mg/0.3 ml Injection Click to Show/Hide the Full List of Formulation(s):          2 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Glycerin; Sterile Water For Injection; Hydrochloric Acid; Sodium Hydroxide
                   Dosage Form Injection
                   Company Amag Pharmaceuticals
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Hydrochloric acid DIG Info Carbonic anhydrase V (Ki = 156 nM) [1]
             Drug Formulation 2 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Glycerin; Sterile Water For Injection; Hydrochloric Acid Or Sodium Hydroxide
                   Dosage Form Injection
                   Company Palatin Technologies
References
1 Carbonic anhydrase inhibitors. Inhibition of the newly isolated murine isozyme XIII with anions. Bioorg Med Chem Lett. 2004 Nov 1; 14(21):5435-9.

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