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2-[(3S,6S,12S,18S,21S)-12-[3-(diaminomethylideneamino)propyl]-3-(hydroxymethyl)-18-methyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosan-6-yl]acetic acid | CAS No. 128857-77-2

2-[(3S,6S,12S,18S,21S)-12-[3-(diaminomethylideneamino)propyl]-3-(hydroxymethyl)-18-methyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosan-6-yl]acetic acid

Basic Information

Chemical_Structure_Of
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CAS Number

128857-77-2

Molecular Formula

C25H40N10O10

Molecular Weight

640.6 g/mol

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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 Surfactants Anionic Surfactants
Polymers and Plastics Thermoplastics Polyolefins
Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CC1C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)N1)CO)CC(=O)O)CCCN=C(N)N

InChI

InChI=1S/C25H40N10O10/c1-12-20(41)29-9-17(37)32-13(4-2-6-28-25(26)27)21(42)30-10-18(38)33-14(8-19(39)40)22(43)34-15(11-36)24(45)35-7-3-5-16(35)23(44)31-12/h12-16,36H,2-11H2,1H3,(H,29,41)(H,30,42)(H,31,44)(H,32,37)(H,33,38)(H,34,43)(H,39,40)(H4,26,27,28)/t12-,13-,14-,15-,16-/m0/s1

InChIKey

FWFZEPRYKXWBLR-QXKUPLGCSA-N

LogP

-6.2969000000000115

Topological Polar Surface Area

316.8399999999999 Ų

Hydrogen Bond Donor/Acceptor

12 / 20

Complexity

1190

Synonyms & References

English

  • Cyclo(L-alanylglycyl-L-arginylglycyl-L-a-aspartyl-L-seryl-L-prolyl)(9CI)
  • 128857-77-2
  • 2-[(3S,6S,12S,18S,21S)-12-[3-(diaminomethylideneamino)propyl]-3-(hydroxymethyl)-18-methyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosan-6-yl]acetic acid
  • cyclo(Gly-Arg-Gly-Asp-Ser-Pro-Ala)
  • CYCLO(-GLY-ARG-GLY-ASP-SER-PRO-ALA)
  • c(GRGDSPA)
  • CYCLIC GRGDSPA

MDL Number

MFCD00237612

FAQ

What is 2-[(3S,6S,12S,18S,21S)-12-[3-(diaminomethylideneamino)propyl]-3-(hydroxymethyl)-18-methyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosan-6-yl]acetic acid (CAS: 128857-77-2)?
2-[(3S,6S,12S,18S,21S)-12-[3-(diaminomethylideneamino)propyl]-3-(hydroxymethyl)-18-methyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosan-6-yl]acetic acid is a complex organic compound with a unique structure, characterized by a large, cyclic, nitrogen-rich ring system attached to an acetic acid moiety. This compound is primarily of interest in pharmaceutical research for its potential applications in drug discovery.

What are the main uses of 2-[(3S,6S,12S,18S,21S)-12-[3-(diaminomethylideneamino)propyl]-3-(hydroxymethyl)-18-methyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosan-6-yl]acetic acid (CAS: 128857-77-2)?
The main uses of 2-[(3S,6S,12S,18S,21S)-12-[3-(diaminomethylideneamino)propyl]-3-(hydroxymethyl)-18-methyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosan-6-yl]acetic acid are predominantly in pharmaceutical research, where it shows promise as a potential lead compound for developing new drugs. It has been explored for its biological activities and therapeutic potential in various diseases.

Is 2-[(3S,6S,12S,18S,21S)-12-[3-(diaminomethylideneamino)propyl]-3-(hydroxymethyl)-18-methyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosan-6-yl]acetic acid (CAS: 128857-77-2) safe?
2-[(3S,6S,12S,18S,21S)-12-[3-(diaminomethylideneamino)propyl]-3-(hydroxymethyl)-18-methyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosan-6-yl]acetic acid is considered safe for use in laboratory settings under proper handling and storage conditions. However, it should be handled with caution due to its complex structure and potential reactivity. Adequate personal protective equipment and proper laboratory practices are recommended to prevent exposure and ensure safety.

How should 2-[(3S,6S,12S,18S,21S)-12-[3-(diaminomethylideneamino)propyl]-3-(hydroxymethyl)-18-methyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosan-6-yl]acetic acid (CAS: 128857-77-2) be stored?
2-[(3S,6S,12S,18S,21S)-12-[3-(diaminomethylideneamino)propyl]-3-(hydroxymethyl)-18-methyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosan-6-yl]acetic acid should be stored in a cool, dry place, away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent degradation and loss of activity. The storage temperature should be maintained below 25°C to ensure the stability and potency of the compound during handling and use in research settings.

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Supplier Information

2-[(3S,6S,12S,18S,21S)-12-[3-(diaminomethylideneamino)propyl]-3-(hydroxymethyl)-18-methyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosan-6-yl]acetic acid — Bachem

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Hangzhou Tijk Biotechnology Co., Ltd.

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Huzhou Chinese Academy YiGe BioScience and Technology Co., Ltd.

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2-[(3S,6S,12S,18S,21S)-12-[3-(diaminomethylideneamino)propyl]-3-(hydroxymethyl)-18-methyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosan-6-yl]acetic acid — Jixi Tanzhen Biological Technology Co., Ltd.

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Jilin Biochemistry Shanghai Co., Ltd.

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2-[(3S,6S,12S,18S,21S)-12-[3-(diaminomethylideneamino)propyl]-3-(hydroxymethyl)-18-methyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosan-6-yl]acetic acid — Nanjing Leion Biotechnology Co., Ltd.

Nanjing Leion Biotechnology Co., Ltd.

CAS Number: 128857-77-2

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2-[(3S,6S,12S,18S,21S)-12-[3-(diaminomethylideneamino)propyl]-3-(hydroxymethyl)-18-methyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosan-6-yl]acetic acid — ShenZhenAiTaHuaXue Co Ltd

ShenZhenAiTaHuaXue Co Ltd

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