ATN-161

DRACPC ID  DRACPC0031

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

Type  Small Molecule

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

Structure

 

Show IUPAC/InChI/SMILES

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.





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