Atn-161
Grundinformationen
- CAS
262438-43-7- Standard-SMILES
CC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(N)=O- InChIKey
MMHDBUJXLOFTLC-WOYTXXSLSA-N- Summenformel
- C23H35N9O8S
- Durchschnittliche Molmasse
- 597,6 g/mol
- Monoisotopische Masse
- 597,23293028
Überblick
ATN-161 is a non-RGD based integrin binding peptide targeting alpha-5 beta-1 and alpha-v beta-3. It inhibits the migration and adhesion of particular integrins on activated endothelial cells that play a critical role in tumor angiogenesis. This approach targeting both the tumor vasculature and the cancer cells themselves, may be effective in single therapy as well as combination therapy. Since the expression of alpha(5)beta(1) integrin by cancer cells and the role of this molecule in tumor angiogenesis is similar across a range of different cancers, the therapeutic benefit of ATN-161 is expected to extend to a variety of cancers.
Namen und Bezeichner
- Bevorzugter Name
- Atn-161
- IUPAC
- (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
- Englischer Name
- ATN-161
- Summenformel
- C23H35N9O8S
- Molmasse
- 597.64
Namen und Synonyme
ATN-161262438-43-7ATN 161Ac-PHSCN-NH2XW0H5LE42KL-Aspartamide, 1-acetyl-L-prolyl-L-histidyl-L-seryl-L-cysteinyl-DTXSID60180877RefChem:115440DTXCID00103368Alpha V Beta 1 Inhibitor ATN-161ATN-161 free base(S)-2-((R)-2-((S)-2-((S)-2-((S)-1-Acetylpyrrolidine-2-carboxamido)-3-(1H-imidazol-4-yl)propanamido)-3-hydroxypropanamido)-3-mercaptopropanamido)succinamide
Weitere Namen anzeigen
ATN-161(free base)ATN-161 >=98% (HPLC)ATN-161 (Ac-PHSCN-NH2)ATN-161/262438-43-7/98%(S)-2-((R)-2-((S)-2-((S)-2-((S)-1-Acetylpyrrolidine-2-carboxamido)-3-(1H-imidazol-5-yl)propanamido)-3-hydroxypropanamido)-3-mercaptopropanamido)succinamide
(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]butanediamideATN161UNII-XW0H5LE42Korb1710371SCHEMBL2157375CHEMBL4297456SCHEMBL17262996C23H35N9O8S
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -4,7
- Polarare Oberfläche (TPSA)
- 273 Ų
- H-Brücken-Donoren
- 9
- H-Brücken-Akzeptoren
- 10
- Frei drehbare Bindungen
- 15
- Schwere Atome
- 41
- Formalladung
- 0
- Komplexität
- 1.020
Physikochemische Eigenschaften
- Siedepunkt
- 1297.2 · 1297.2±65.0 °C(Predicted)
- Dichte
- 1.443 · 1.443±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- Löslichkeit
- 7.5 · Water:7.5(Max Conc. mg/mL);12.56(Max Conc. mM)
- pka
- 9.14 · 9.14±0.10(Predicted)
- Aggregatzustand
- Solid
- Farbe
- White to Off-White
- Wasserlöslichkeit
- 2 mg/ml · Soluble to 2 mg/ml in water
- SMILES
- O=C([C@H]1N(C(C)=O)CCC1)N[C@@H](CC2=CN=CN2)C(N[C@@H](CO)C(N[C@@H](CS)C(N[C@@H](CC(N)=O)C(N)=O)=O)=O)=O
Chemie und Industrie
Pharmakologische Informationen
Pharmacodynamics
ATN-161 is a non-RGD based integrin binding peptide targeting alpha-5 beta-1 and alpha-v beta-3. It inhibits the migration and adhesion of particular integrins on activated endothelial cells that play a critical role in tumor angiogenesis. Since the over-expressed integrins and hyper-vasularized tissue is common across many cancer types, this treatment is expected to be indicated for many different cancers.
Mechanism of Action
ATN-161 is a non-RGD based integrin binding peptide targeting alpha-5 beta-1 and alpha-v beta-3. It inhibits the migration and adhesion of particular integrins on activated endothelial cells that play a critical role in tumor angiogenesis. Beta integrins, including beta(1), beta(3) and beta(5) subtypes, are present on endothelial cells and mediate endothelial cell-extracellular matrix interactions. Of particular interest to cancer progression is integrin alpha(5)beta(1) which is expressed on activated endothelial cells and plays a critical role in tumor angiogenesis. Likewise alpha(5)beta(1) integrin is also present on many tumor cells where is plays a key role in adhesion and migration and hence blocking this integrin can affect tumor progression both directly and also indirectly through the prevention of angiogenesis.
Anbieter53 Anbieter
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海鸿肽生物科技有限公司15318089928 · [email protected]
中科华药(江苏)生物科技有限公司18020125070 · [email protected]
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