Metabolites-BOC Sciences

1-Alaninechlamydocin

1-Alaninechlamydocin - CAS 141446-96-0

Catalog number: BBF-04199

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Catalog Number BBF-04199
CAS 141446-96-0
Description It is a cyclic tetrapeptide antibiotic containing a single β-amino acid, which was isolated from diheterospora chlamydosporia in 1992. It is less widely characterised than the related chlamydocin. It exhibits potent antitumor activity and acts by inhibiting histone deacetylase.
Molecular Formula C27H36N4O6
Molecular Weight 512.61
Antibiotic Activity Spectrum Neoplastics (Tumor)
Synonyms Cyclo[L-alanyl-L-phenylalanyl-D-prolyl-(αS,2S)-α-amino-η-oxooxiraneoctanoyl]; (S)-Cyclo(L-alanyl-L-phenylalanyl-D-prolyl-η-oxo-L-α-aminooxiraneoctanoyl)
IUPAC Name (3S,6S,9S,12S)-3-benzyl-6-methyl-9-[6-(oxiran-2-yl)-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
Canonical SMILES CC1C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)N1)CCCCCC(=O)C3CO3)CC4=CC=CC=C4
InChI InChI=1S/C27H36N4O6/c1-17-24(33)30-20(15-18-9-4-2-5-10-18)27(36)31-14-8-12-21(31)26(35)29-19(25(34)28-17)11-6-3-7-13-22(32)23-16-37-23/h2,4-5,9-10,17,19-21,23H,3,6-8,11-16H2,1H3,(H,28,34)(H,29,35)(H,30,33)/t17-,19-,20-,21-,23?/m0/s1
InChI Key QMNUPNOLDLHVTB-UKAZWLHKSA-N
Boiling Point 871.9±65.0°C at 760 mmHg
Purity >95% by HPLC
Density 1.3±0.1 g/cm3
Solubility Soluble in Ethanol, Methanol, DMF, DMSO; Poorly soluble in Water
Appearance White Solid
Storage Store at -20°C
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