Setmelanotide CAS#: 920014-72-8

By great_watson-int,
Identification Physical Data Spectra
Route of Synthesis (ROS) Safety and Hazards Other Data

Identification

英文名 Setmelanotide
分子结构
CAS编号 920014-72-8
EINECS Number
MDL Number
Beilstein Registry Number
别名 (4R,7S,10S,13R,16S,19R,22R)-16-((1H-imidazol-5-yl)methyl)-7-((1H-indol-3-yl)methyl)-22-((S)-2-acetamido-5-guanidinopentanamido)-13-benzyl-10-(3-guanidinopropyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexaazacyclotricosane-4-carboxamide
分子式 C49H68N18O9S2
分子量 1117.3
InChI
InChI Key
Canonical SMILES O=C(N[C@@H](CSSC[C@@H](C(N[C@@H]1C)=O)NC([C@@H](NC(C)=O)CCCNC(N)=N)=O)C(N)=O)[C@@H](NC([C@@H](NC([C@H](NC([C@@H](NC1=O)CC2=CN=CN2)=O)CC3=CC=CC=C3)=O)CCCNC(N)=N)=O)CC4=CNC5=CC=CC=C45

Physical Data

Appearance No data available
Solubility No data available
Flash Point No data available
Refractive index No data available
Sensitivity No data available
Melting Point No data available

Spectra

No data available

Route of Synthesis (ROS)

No data available

Safety and Hazards

No data available

Other Data

HS Code 382290
Storage At room temperature and away from light
Related Chemicals 2324799-41-7 (dihydrochloride salt)
Use Pattern
Setmelanotide is chemically (4R,7S,10S,13R,16S,19R,22R)-16-((1H-imidazol-5-yl)methyl)-7-((1H-indol-3-yl)methyl)-22-((S)-2-acetamido-5-guanidinopentanamido)-13-benzyl-10-(3-guanidinopropyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexaazacyclotricosane-4-carboxamide. Setmelanotide is supplied with detailed characterization data compliant with regulatory guideline. Setmelanotide can be used for the analytical method development, method validation (AMV), Quality Controlled (QC) application for Abbreviated New Drug Application (ANDA) or during commercial production of Setmelanotide. The product can be used as reference standards and further traceability against pharmacopeial standards (USP or EP) can be provided based on feasibility. ChemWhat products are for analytical purpose only and not for human use.

Setmelanotide Impurity 1 CAS#: 1304512-91-1

By great_watson-int,
Identification Physical Data Spectra
Route of Synthesis (ROS) Safety and Hazards Other Data

Identification

英文名 Setmelanotide Impurity 1
分子结构
CAS编号 1304512-91-1
EINECS Number
MDL Number
Beilstein Registry Number
别名 (S)-N-((2R,5S,8S,11R,14S,17R,20R)-14-((1H-imidazol-5-yl)methyl)-5-((1H-indol-3-yl)methyl)-1-amino-11-benzyl-8-(3-guanidinopropyl)-21-mercapto-2-(mercaptomethyl)-17-methyl-1,4,7,10,13,16,19-heptaoxo-3,6,9,12,15,18-hexaazahenicosan-20-yl)-2-acetamido-5-guanidinopentanamide
分子式 C49H70N18O9S2
分子量 1119.3
InChI
InChI Key
Canonical SMILES O=C(N[C@@H](CS)C(N[C@H](C)C(N[C@@H](CC1=CN=CN1)C(N[C@H](CC2=CC=CC=C2)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC3=CNC4=C3C=CC=C4)C(N[C@@H](CS)C(N)=O)=O)=O)=O)=O)=O)=O)[C@@H](NC(C)=O)CCCNC(N)=N

Physical Data

Appearance No data available
Solubility No data available
Flash Point No data available
Refractive index No data available
Sensitivity No data available
Melting Point No data available

Spectra

No data available

Route of Synthesis (ROS)

No data available

Safety and Hazards

No data available

Other Data

HS Code 382290
Storage At room temperature and away from light
Related Chemicals
Use Pattern
Setmelanotide Impurity 1 is chemically (S)-N-((2R,5S,8S,11R,14S,17R,20R)-14-((1H-imidazol-5-yl)methyl)-5-((1H-indol-3-yl)methyl)-1-amino-11-benzyl-8-(3-guanidinopropyl)-21-mercapto-2-(mercaptomethyl)-17-methyl-1,4,7,10,13,16,19-heptaoxo-3,6,9,12,15,18-hexaazahenicosan-20-yl)-2-acetamido-5-guanidinopentanamide. Setmelanotide Impurity 1 is supplied with detailed characterization data compliant with regulatory guideline. Setmelanotide Impurity 1 can be used for the analytical method development, method validation (AMV), Quality Controlled (QC) application for Abbreviated New Drug Application (ANDA) or during commercial production of Setmelanotide. The product can be used as reference standards and further traceability against pharmacopeial standards (USP or EP) can be provided based on feasibility. ChemWhat products are for analytical purpose only and not for human use.