ATN-161
DCTPepD ID DCTPepD0031
Active Ingredients ATN-161
Description A small peptide antagonist of integrin alpha5beta1 with potential antineoplastic activity. ATN-161 selectively binds to and blocks the receptor for integrin alpha5beta1, thereby preventing integrin alpha5beta1 binding. This receptor blockade may result in inhibition of endothelial cell-cell interactions, endothelial cell-matrix interactions, angiogenesis, and tumor progression. Integrin alpha5beta1 is expressed on endothelial cells and plays a crucial role in endothelial cell adhesion and migration. ATN-161 may prevent the spread of tumor cells and may prevent the growth of new blood vessels that tumors need to grow. It is a type of antiangiogenesis agent.
Synonyms α5β1 Inhibitor ATN-161; ATN-161
Disease Cancer/Tumor
Classification
Integrin α5β1 antagonist Peptide and derivative Antiangiogenesis agent
Structure Information
Molecular Formula C23H35N9O8S
Molecular Weight 597.6
Active Sequence PHSCN
Sequence Length 5
Modification C-terminal Ac, N-terminal NH2
IUPAC Name (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]butanediamide
InChI InChI=1S/C23H35N9O8S/c1-11(34)32-4-2-3-17(32)23(40)29-14(5-12-7-26-10-27-12)20(37)30-15(8-33)21(38)31-16(9-41)22(39)28-13(19(25)36)6-18(24)35/h7,10,13-17,33,41H,2-6,8-9H2,1H3,(H2,24,35)(H2,25,36)(H,26,27)(H,28,39)(H,29,40)(H,30,37)(H,31,38)/t13-,14-,15-,16-,17-/m0/s1
InChI_Key MMHDBUJXLOFTLC-WOYTXXSLSA-N
SMILES O=C(N)[C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H]1N(C(C)=O)CCC1)=O)CC2=CN=CN2)=O)CO)=O)CS)=O)CC(N)=O
External Codes
PubChem CID 9960285
DrugBank Accession Number DB05491
NCI Thesaurus Code C52185
UNII XW0H5LE42K GSRS
CAS 262438-43-7
Drug approval
Drug indication
Investigated for use/treatment in brain cancer and cancer/tumors (unspecified).
The drug is not approved.
| ClinicalTrials.gov Identifier | Title | Condition or disease | Phase | Purpose |
|---|---|---|---|---|
| NCT00131651 | A Dose-Ranging, Phase II, Open Label Study of ATN 161 in Advanced Renal Cell Cancer | Carcinoma, Renal Cell | Phase 2 | Treatment |
| NCT00352313 | A Phase I/II Study of ATN-161 and Carboplatin in Adult Patients With Recurrent Intracranial Malignant Glioma | Brain and Central Nervous System Tumors | Phase 1/2 | Treatment |
More clinical information is obtained from ClinicalTrials.gov.
