(3S,6S,9R,12S)-6-(4-Aminobutyl)-12-benzyl-3-[(1R)-1-(benzyloxy)ethyl]-9-(1H-indol-3-ylmethyl)-1,4,7,10,13-pentaazacycloicosane-2,5,8,11,14-pentone

Basic Information

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CAS Number

84211-54-1

Molecular Formula

C44H57N7O6

Molecular Weight

779.98 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

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

1118.4°C at 760 mmHg

Density

1.147

Flash Point

630.2°C

Solubility

H2O: 1 mg/mL, clear, colorless

Refractive Index

1.558

SMILES

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NCCCCC1NC(=O)C(NC(=O)C(NC(=O)CCCCCCNC(=O)C(NC1=O)C(OCc1ccccc1)C)Cc1ccccc1)Cc1c[nH]c2c1cccc2

InChI

InChI=1S/C44H57N7O6/c1-30(57-29-32-18-8-5-9-19-32)40-44(56)46-25-15-3-2-10-23-39(52)48-37(26-31-16-6-4-7-17-31)42(54)50-38(27-33-28-47-35-21-12-11-20-34(33)35)43(55)49-36(41(53)51-40)22-13-14-24-45/h4-9,11-12,16-21,28,30,36-38,40,47H,2-3,10,13-15,22-27,29,45H2,1H3,(H,46,56)(H,48,52)(H,49,55)(H,50,54)(H,51,53)/t30-,36+,37+,38-,40+/m1/s1

InChIKey

YHVHQZYJGWGAKN-ZUWUZHNASA-N

LogP

3.70690000000001

Topological Polar Surface Area

196.53999999999996 Å²

Hydrogen Bond Donor/Acceptor

8 / 13

Complexity

1270

Synonyms & References

English

Cyclo[7-aminoheptanoyl-L-phenylalanyl-D-tryptophyl-L-lysyl-O-(phenylmethyl)-L-threonyl]
6-(4-aminobutyl)-12-benzyl-9-(1H-indol-3-ylmethyl)-3-(1-phenylmethoxyethyl)-1,4,7,10,13-pentazacycloicosane-2,5,8,11,14-pentone
C[AMINOHEPTANOYL-PHE-DTRP-LYS-THR: BZL]
CYCLO -SOMATOSTATIN
Cyclosomatostatin

MDL Number

MFCD00076778

FAQ

What regulatory guidelines apply to (3S,6S,9R,12S)-6-(4-Aminobutyl)-12-benzyl-3-[(1R)-1-(benzyloxy)ethyl]-9-(1H-indol-3-ylmethyl)-1,4,7,10,13-pentaazacycloicosane-2,5,8,11,14-pentone (CAS: 84211-54-1)?

This compound falls under the regulatory guidelines of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), and must comply with the REACH regulations in the European Union. In the USA, it must meet FDA and EPA requirements for chemical substances. Specific handling, storage, and disposal guidelines should be followed to ensure compliance with local and international regulations.

Are there alternatives to (3S,6S,9R,12S)-6-(4-Aminobutyl)-12-benzyl-3-[(1R)-1-(benzyloxy)ethyl]-9-(1H-indol-3-ylmethyl)-1,4,7,10,13-pentaazacycloicosane-2,5,8,11,14-pentone (CAS: 84211-54-1) in synthesis?

Synthesis alternatives include using isomers or analogs such as (3R,6R,9S,12S)-6-(4-Aminobutyl)-12-benzyl-3-[(1S)-1-(benzyloxy)ethyl]-9-(1H-indol-3-ylmethyl)-1,4,7,10,13-pentaazacycloicosane-2,5,8,11,14-pentone, or substituting the aminobutyl group with other amino-containing groups. These alternatives can offer similar functionalities while potentially simplifying the synthesis process.

What is the market or research trend for (3S,6S,9R,12S)-6-(4-Aminobutyl)-12-benzyl-3-[(1R)-1-(benzyloxy)ethyl]-9-(1H-indol-3-ylmethyl)-1,4,7,10,13-pentaazacycloicosane-2,5,8,11,14-pentone (CAS: 84211-54-1)?

The market for this compound is primarily driven by its use in research and development for pharmaceuticals and biotech applications. Recent trends indicate growing interest in its potential as an intermediate in drug synthesis and as a candidate for medicinal chemistry studies. Research is focused on its pharmacological properties and its application in targeted therapies.

How should waste containing (3S,6S,9R,12S)-6-(4-Aminobutyl)-12-benzyl-3-[(1R)-1-(benzyloxy)ethyl]-9-(1H-indol-3-ylmethyl)-1,4,7,10,13-pentaazacycloicosane-2,5,8,11,14-pentone (CAS: 84211-54-1) be handled?

Waste containing this compound should be collected in appropriate containers and stored in a secure location. Proper incineration or professional waste disposal services should be utilized. Ensure that all handling follows environmental protection guidelines to prevent contamination and ensure safe disposal. Consult local regulations for specific disposal requirements.

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(3S,6S,9R,12S)-6-(4-Aminobutyl)-12-benzyl-3-[(1R)-1-(benzyloxy)ethyl]-9-(1H-indol-3-ylmethyl)-1,4,7,10,13-pentaazacycloicosane-2,5,8,11,14-pentone | CAS No. 84211-54-1

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Boiling Point

Density

Flash Point

Solubility

Refractive Index

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Synonyms & References

English

MDL Number

FAQ

What regulatory guidelines apply to (3S,6S,9R,12S)-6-(4-Aminobutyl)-12-benzyl-3-[(1R)-1-(benzyloxy)ethyl]-9-(1H-indol-3-ylmethyl)-1,4,7,10,13-pentaazacycloicosane-2,5,8,11,14-pentone (CAS: 84211-54-1)?

Are there alternatives to (3S,6S,9R,12S)-6-(4-Aminobutyl)-12-benzyl-3-[(1R)-1-(benzyloxy)ethyl]-9-(1H-indol-3-ylmethyl)-1,4,7,10,13-pentaazacycloicosane-2,5,8,11,14-pentone (CAS: 84211-54-1) in synthesis?

What is the market or research trend for (3S,6S,9R,12S)-6-(4-Aminobutyl)-12-benzyl-3-[(1R)-1-(benzyloxy)ethyl]-9-(1H-indol-3-ylmethyl)-1,4,7,10,13-pentaazacycloicosane-2,5,8,11,14-pentone (CAS: 84211-54-1)?

How should waste containing (3S,6S,9R,12S)-6-(4-Aminobutyl)-12-benzyl-3-[(1R)-1-(benzyloxy)ethyl]-9-(1H-indol-3-ylmethyl)-1,4,7,10,13-pentaazacycloicosane-2,5,8,11,14-pentone (CAS: 84211-54-1) be handled?

Related Compounds

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