(3S,6S,9S,12S,15S,18S,21S,24S)-24-Acetamido-15-(3-amino-3-oxopropyl)-3-carbamoyl-21-(2-carboxyethyl)-9,12-bis(3-guanidinopropyl)-6-methyl-18-(2-(methylthio)ethyl)-5,8,11,14,17,20,23-heptaoxo-4,7,10,13,16,19,22-heptaazaheptacosane-1,27-dioic acid | CAS No. 868844-74-0

(3S,6S,9S,12S,15S,18S,21S,24S)-24-Acetamido-15-(3-amino-3-oxopropyl)-3-carbamoyl-21-(2-carboxyethyl)-9,12-bis(3-guanidinopropyl)-6-methyl-18-(2-(methylthio)ethyl)-5,8,11,14,17,20,23-heptaoxo-4,7,10,13,16,19,22-heptaazaheptacosane-1,27-dioic acid

Basic Information

CAS Number

868844-74-0

Molecular Formula

C41H70N16O16S

Molecular Weight

1075.17 g/mol

AD

Basic Physical Properties

Density

1.56

O=C(O)C[C@@H](C(N)=O)NC([C@H](C)NC([C@H](CCCNC(N)=N)NC([C@H](CCCNC(N)=N)NC([C@H](CCC(N)=O)NC([C@H](CCSC)NC([C@H](CCC(O)=O)NC([C@@H](NC(C)=O)CCC(O)=O)=O)=O)=O)=O)=O)=O)=O

InChI

InChI=1S/C41H70N16O16S/c1-19(33(67)57-27(32(43)66)18-31(64)65)50-34(68)21(6-4-15-48-40(44)45)52-35(69)22(7-5-16-49-41(46)47)53-37(71)24(8-11-28(42)59)54-39(73)26(14-17-74-3)56-38(72)25(10-13-30(62)63)55-36(70)23(51-20(2)58)9-12-29(60)61/h19,21-27H,4-18H2,1-3H3,(H2,42,59)(H2,43,66)(H,50,68)(H,51,58)(H,52,69)(H,53,71)(H,54,73)(H,55,70)(H,56,72)(H,57,67)(H,60,61)(H,62,63)(H,64,65)(H4,44,45,48)(H4,46,47,49)/t19-,21-,22-,23-,24-,25-,26-,27-/m0/s1

InChIKey

KMACPCJUCHVVGP-FNRPHRCSSA-N

LogP

-6.8606600000000055

Topological Polar Surface Area

554.68 Ų

Hydrogen Bond Donor/Acceptor

23 / 32

Complexity

2100

Safety Information

View Safety Information

GHS Hazard Pictograms

H302H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

  • Acetyl Glutamyl Octapeptide-3
  • Ac-Glu-Glu-Met-Gln-Arg-Arg-Ala-Asp-NH2
  • Acetyl Glutamyl Octapeptide-3, Snap-8
  • Ac-ED-8-NH2
  • Acetyl Glutamyl Heptapeptide-3
  • Acetyl-Octapeptide-3
  • L-​α-​Asparagine, N-​acetyl-​L-​α-​glutamyl-​L-​α-​glutamyl-​L-​methionyl-​L-​glutaminyl-​L-​arginyl-​L-​arginyl-​L-​alanyl- Protein Sequence Sequence Length: 8
  • SNAP-8
  • Acetyl octapeptide-3
  • ​ SNAP-8
  • Snap-8 / Acetyl Octapeptide-3
  • Snap-8 (Acetyl Glutamyl Heptapeptide-3)
  • N-Acetyl-L-alpha-glutamyl-L-alpha-glutamyl-L-methionyl-L-glutaminyl-L-arginyl-L-arginyl-L-alanyl-L-alpha-asparagine
  • SNAP8 Acetate(868844-74-0,free base)

MDL Number

MFCD18072161

FAQ

What is (3S,6S,9S,12S,15S,18S,21S,24S)-24-Acetamido-15-(3-amino-3-oxopropyl)-3-carbamoyl-21-(2-carboxyethyl)-9,12-bis(3-guanidinopropyl)-6-methyl-18-(2-(methylthio)ethyl)-5,8,11,14,17,20,23-heptaoxo-4,7,10,13,16,19,22-heptaazaheptacosane-1,27-dioic acid (CAS: 868844-74-0)?

This compound is a complex polyamine derivative with multiple functional groups, including amide, carboxylic acid, and guanidino moieties. Its chemical formula is C30H57N15O12S. It exhibits high molecular complexity and is characterized by its ability to form hydrogen bonds and interact with biological targets, making it a potential candidate for pharmaceutical applications. The compound is known for its structural diversity and functional versatility.

What are the main uses of (3S,6S,9S,12S,15S,18S,21S,24S)-24-Acetamido-15-(3-amino-3-oxopropyl)-3-carbamoyl-21-(2-carboxyethyl)-9,12-bis(3-guanidinopropyl)-6-methyl-18-(2-(methylthio)ethyl)-5,8,11,14,17,20,23-heptaoxo-4,7,10,13,16,19,22-heptaazaheptacosane-1,27-dioic acid (CAS: 868844-74-0)?

The compound is primarily researched for its potential in pharmaceuticals, particularly in the development of drugs targeting metabolic disorders and neurological conditions. It may also be used in biochemistry research for studying protein interactions and enzyme inhibition. Due to its complex structure, it is of interest in the synthesis of advanced organic compounds and as a model for drug design and development.

Is (3S,6S,9S,12S,15S,18S,21S,24S)-24-Acetamido-15-(3-amino-3-oxopropyl)-3-carbamoyl-21-(2-carboxyethyl)-9,12-bis(3-guanidinopropyl)-6-methyl-18-(2-(methylthio)ethyl)-5,8,11,14,17,20,23-heptaoxo-4,7,10,13,16,19,22-heptaazaheptacosane-1,27-dioic acid (CAS: 868844-74-0) safe?

Safety data for this compound is limited, but as a complex organic molecule with multiple functional groups, it may pose potential toxicity risks. Precautions should include handling in a well-ventilated area, wearing protective gloves and goggles, and avoiding direct contact with skin or inhalation. It is important to follow standard safety protocols for chemical handling and consult safety data sheets (SDS) for detailed information on its hazards and regulatory compliance.

How should (3S,6S,9S,12S,15S,18S,21S,24S)-24-Acetamido-15-(3-amino-3-oxopropyl)-3-carbamoyl-21-(2-carboxyethyl)-9,12-bis(3-guanidinopropyl)-6-methyl-18-(2-(methylthio)ethyl)-5,8,11,14,17,20,23-heptaoxo-4,7,10,13,16,19,22-heptaazaheptacosane-1,27-dioic acid (CAS: 868844-74-0) be stored?

This compound should be stored in a cool, dry, and dark place, ideally at temperatures below 25°C. It is recommended to keep it in a sealed container to prevent moisture exposure and contamination. Avoid exposure to light and maintain a controlled humidity level to ensure stability. Always store in a well-ventilated area and follow specific guidelines for handling sensitive organic compounds.

Related Compounds

You might also like

Compound Q&A

What is 6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one (CAS: 21889-89-4)?

6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one is a cyclic ketone with a molecular for...

21889-89-46-Methyl-7-oxabicycl...
Compound Q&A

What is 4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid (CAS: 906353-00-2)?

4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid is a chemical compound with the CAS nu...

906353-00-24-[(6-Methyl-2-pyraz...
Compound Q&A

What is 2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8)?

2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8) is a colorless to slightly yel...

49745-42-82-(2-Pyridinyl)-1,3-...
Compound Q&A

What is 2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile (CAS: 24783-42-4)?

2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile is an organic compound with the CA...

24783-42-42-(6-Chloro-2-pyridi...
Compound Q&A

What is 2-Oxopropanamide (CAS: 631-66-3)?

2-Oxopropanamide, also known as 2-aminoacrylic acid, is a chemical compound with...

631-66-32-Oxopropanamide
Compound Q&A

What is 2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CAS: 1289040-88-5)?

2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CA...

1289040-88-52-Methyl-2-propanyl ...
Compound Q&A

What is NAMPT inhibitor-linker 1 (CAS: 2241019-57-6)?

NAMPT inhibitor-linker 1 (CAS: 2241019-57-6) is a chemical compound designed as ...

2241019-57-6NAMPT inhibitor-link...
Compound Q&A

What is (2-(2,2,2-Trifluoroacetyl)pyridin-4-yl)boronic acid (CAS: 1310404-58-0)?

It is a chemical compound with the structure (2-(2,2,2-Trifluoroacetyl)pyridin-4...

1310404-58-0(2-(2,2,2-Trifluoroa...
Compound Q&A

What is 1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (CAS: 794568-90-4)?

1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,...

794568-90-41-(2-Chlorophenyl)-6...
Compound Q&A

What is Vinyl(chloromethyl)dimethoxysilane (CAS: 1314981-48-0)?

Vinyl(chloromethyl)dimethoxysilane is an organosilicon compound with the molecul...

1314981-48-0Vinyl(chloromethyl)d...