2-({19-[2-amino-3-(naphthalen-2-yl)propanamido]-10-(4-aminobutyl)-16-[(4-hydroxyphenyl)methyl]-13-[(1H-indol-3-yl)methyl]-6,9,12,15,18-pentaoxo-7-(propan-2-yl)-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl}formamido)-3-hydroxybutanamide

Basic Information

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CAS Number

108736-35-2

Molecular Formula

C54H69N11O10S2

Molecular Weight

1096.35 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

1508.2°Cat760mmHg

Density

1.323 g/cm3

Flash Point

865.9°C

Refractive Index

1.689

SMILES

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CC(C)C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC6=CC=CC=C6C=C5)N)C(=O)NC(C(C)O)C(=O)N

InChI

InChI=1S/C54H69N11O10S2/c1-29(2)45-54(75)63-44(53(74)65-46(30(3)66)47(57)68)28-77-76-27-43(62-48(69)38(56)23-32-15-18-33-10-4-5-11-34(33)22-32)52(73)60-41(24-31-16-19-36(67)20-17-31)50(71)61-42(25-35-26-58-39-13-7-6-12-37(35)39)51(72)59-40(49(70)64-45)14-8-9-21-55/h4-7,10-13,15-20,22,26,29-30,38,40-46,58,66-67H,8-9,14,21,23-25,27-28,55-56H2,1-3H3,(H2,57,68)(H,59,72)(H,60,73)(H,61,71)(H,62,69)(H,63,75)(H,64,70)(H,65,74)

InChIKey

PUDHBTGHUJUUFI-UHFFFAOYSA-N

LogP

0.8216000000000044

Topological Polar Surface Area

355.07999999999987 Å²

Hydrogen Bond Donor/Acceptor

16 / 21

Complexity

2000

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

Somatuline; Lanreotidum; BIM 23014C
108736-35-2
PUDHBTGHUJUUFI-UHFFFAOYSA-N
3-(2-Naphthalenyl)-D-alanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-valyl-L-cysteinyl-L-threoninamide cyclic (2-->7)-disulfide acetate
EN300-26911522
(4S,7S,10S,13R,16S,19S)-13-((1H-indol-3-yl)methyl)-19-((R)-2-amino-3-(naphthalen-2-yl)propanamido)-N-((2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl)-10-(4-aminobutyl)-16-(4-hydroxybenzyl)-7-isopropyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide acetate
10-(4-Aminobutyl)-19-[(2-amino-3-naphthalen-2-yl-propanoyl)amino]-N-(1 -carbamoyl-2-hydroxy-propyl)-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol -3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14, 17-pentazacycloicosane-4-carboxamide
2-({19-[2-amino-3-(naphthalen-2-yl)propanamido]-10-(4-aminobutyl)-16-[(4-hydroxyphenyl)methyl]-13-[(1H-indol-3-yl)methyl]-6,9,12,15,18-pentaoxo-7-(propan-2-yl)-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl}formamido)-3-hydroxybutanamide
127984-74-1
DB06791
SCHEMBL34091
CFA98474
Angiopeptin; 3-(2-Naphthalenyl)-D-alanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-valyl-L-cysteinyl-L-threoninamide cyclic (2-7)-disulfide acetate;Lanreotide
BS-42393
Lanreotide; Angiopeptin; 3-(2-Naphthalenyl)-D-alanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-valyl-L-cysteinyl-L-threoninamide cyclic (2-7)-disulfide; 127984-74-1
3-(2-Naphthyl)-D-alanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-valyl-L-cysteinyl-L-threoninamide cyclic (2-->7)-disulfide
Angiopeptin acetate
BDBM627974
10-(4-aminobutyl)-N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-19-[(2-amino-3-naphthalen-2-ylpropanoyl)amino]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
SCHEMBL14802383
DC 13-116
L000343
GTPL2031
A857302
Lanreotide
3-(2-Naphthalenyl)-D-alanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-valyl-L-cysteinyl-L-threoninamide cyclic (2 inverted exclamation marku7)-disulfide acetate
CVD-0019446
NCGC00181321-01
Lanreotide acetate
Angiopeptin
3-(2-Naphthalenyl)-D-alanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-valyl-L-cysteinyl-L-threoninamide cyclic (2-7)-disulfide

MDL Number

MFCD00873576

FAQ

What is 2-({19-[2-amino-3-(naphthalen-2-yl)propanamido]-10-(4-aminobutyl)-16-[(4-hydroxyphenyl)methyl]-13-[(1H-indol-3-yl)methyl]-6,9,12,15,18-pentaoxo-7-(propan-2-yl)-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl}formamido)-3-hydroxybutanamide (CAS: 108736-35-2)?

This compound is a complex synthetic molecule featuring multiple heterocyclic rings, including naphthalene, indole, and piperazine moieties, along with amino, hydroxy, and formamido functional groups. Its chemical formula is not explicitly provided, but it is characterized by high molecular weight and structural complexity, making it a potential candidate for pharmaceutical or research applications. The compound’s unique architecture suggests interactions with biological targets, though specific properties require detailed analysis.

What are the main uses of 2-({19-[2-amino-3-(naphthalen-2-yl)propanamido]-10-(4-aminobutyl)-16-[(4-hydroxyphenyl)methyl]-13-[(1H-indol-3-yl)methyl]-6,9,12,15,18-pentaoxo-7-(propan-2-yl)-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl}formamido)-3-hydroxybutanamide (CAS: 108736-35-2)?

This compound is primarily used in pharmaceutical research as a complex molecular scaffold, potentially targeting biological pathways involving amino acid derivatives or receptor interactions. Its multifunctional groups may also find applications in chemical synthesis or as a building block for drug development. Limited commercial use exists due to its specialized structure, though it is studied for its chemical reactivity and potential therapeutic properties.

Is 2-({19-[2-amino-3-(naphthalen-2-yl)propanamido]-10-(4-aminobutyl)-16-[(4-hydroxyphenyl)methyl]-13-[(1H-indol-3-yl)methyl]-6,9,12,15,18-pentaoxo-7-(propan-2-yl)-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl}formamido)-3-hydroxybutanamide (CAS: 108736-35-2) safe?

Safety data for this compound is limited, but its complex structure suggests potential toxicity if mishandled. Standard laboratory safety protocols, such as wearing gloves, goggles, and ensuring proper ventilation, are recommended. Always consult Material Safety Data Sheets (MSDS) for specific handling guidelines. Due to its synthetic nature, it should be treated with care to avoid exposure to moisture or air, which may affect stability.

How should 2-({19-[2-amino-3-(naphthalen-2-yl)propanamido]-10-(4-aminobutyl)-16-[(4-hydroxyphenyl)methyl]-13-[(1H-indol-3-yl)methyl]-6,9,12,15,18-pentaoxo-7-(propan-2-yl)-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl}formamido)-3-hydroxybutanamide (CAS: 108736-35-2) be stored?

Store this compound in a sealed, airtight container at room temperature (15-25°C), away from light and moisture. It should be kept in a cool, dry place to maintain stability, with humidity levels below 40% to prevent hydrolysis. Avoid exposure to air and consider storing under inert gas like nitrogen to preserve its chemical integrity. Regularly check for signs of degradation, as prolonged storage may affect its properties.