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CAS 176655-58-6

:

1,3-Piperazinediacetic acid, 4-[[[4-(aminoiminomethyl)benzoyl]amino]acetyl]-2-oxo-, α3-methyl ester, (3S)-

Description:
1,3-Piperazinediacetic acid, 4-[[[4-(aminoiminomethyl)benzoyl]amino]acetyl]-2-oxo-, α3-methyl ester, with CAS number 176655-58-6, is a complex organic compound characterized by its piperazine core, which is a six-membered heterocyclic structure containing two nitrogen atoms. This compound features multiple functional groups, including carboxylic acid and amide functionalities, contributing to its potential as a bioactive molecule. The presence of the aminoiminomethyl and benzoyl groups suggests that it may exhibit significant biological activity, possibly as an inhibitor or modulator in various biochemical pathways. The methyl ester group indicates that it may have enhanced lipophilicity, which can influence its solubility and permeability in biological systems. Additionally, the stereochemistry denoted by (3S) implies specific spatial arrangements of atoms, which can affect the compound's interaction with biological targets. Overall, this compound's structural complexity and functional diversity make it a candidate for further research in medicinal chemistry and drug development.
Formula:C19H23N5O7
InChI:InChI=1/C19H23N5O7/c1-10(19(30)31)15-18(29)23(9-14(26)27)6-7-24(15)13(25)8-22-17(28)12-4-2-11(3-5-12)16(20)21/h2-5,10,15H,6-9H2,1H3,(H3,20,21)(H,22,28)(H,26,27)(H,30,31)/t10?,15-/m0/s1
InChI key:InChIKey=CRFQJHNXTNBRQR-ZDUSSCGKSA-N
SMILES:C(C(OC)=O)[C@@H]1N(C(CNC(=O)C2=CC=C(C(=N)N)C=C2)=O)CCN(CC(O)=O)C1=O
Synonyms:
  • 1,3-Piperazinediacetic acid, 4-[[[4-(aminoiminomethyl)benzoyl]amino]acetyl]-2-oxo-, α3-methyl ester, (S)-
  • TAK 029
  • 1,3-Piperazinediacetic acid, 4-[[[4-(aminoiminomethyl)benzoyl]amino]acetyl]-2-oxo-, α3-methyl ester, (3S)-
  • See more synonyms
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