DP-b99
Grundinformationen
- CAS
222315-88-0- Standard-SMILES
CCCCCCCCOCCOC(=O)CN(CC(=O)O)c1ccccc1OCCOc1ccccc1N(CC(=O)O)CC(=O)OCCOCCCCCCCC- InChIKey
FTGBVHPWUIHWRH-UHFFFAOYSA-N- Summenformel
- C42H64N2O12
- Durchschnittliche Molmasse
- 789 g/mol
- Monoisotopische Masse
- 788,44592548
Überblick
DP-b99 is a newly developed lipophilic, cell permeable derivative of BAPTA (1,2-bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid), that is under development as a neuroprotectant for the potential treatment of stroke, head trauma and neurological damage associated with coronary artery bypass graft.
Namen und Bezeichner
- Bevorzugter Name
- DP-b99
- IUPAC
- 2-[2-[2-[2-[carboxymethyl-[2-(2-octoxyethoxy)-2-oxoethyl]amino]phenoxy]ethoxy]-N-[2-(2-octoxyethoxy)-2-oxoethyl]anilino]acetic acid
- Englischer Name
- N,N'-[1,2-Ethanediylbis(oxy-2,1-phenylene)]bis[N-(carboxymethyl)glycine 1,1'-bis[2-(octyloxy)ethyl] ester
- Summenformel
- C42H64N2O12
- Molmasse
- 788.96
Namen und Synonyme
DP-b99343340-21-6RefChem:590421222315-88-0DP-b 99DP-b-99DP-B99 free acidDP-B-99 free acidDP-B 99 Free acidTDX7IXK9CUDp-bapta-99 free acidUNII-TDX7IXK9CU
Weitere Namen anzeigen
DPBAPTA-99DP-BAPTA-99Glycine, N,N'-[1,2-ethanediylbis(oxy-2,1-phenylene)]bis[N-(carboxymethyl)-, 1,1'-bis[2-(octyloxy)ethyl] ester
2,2'-(((ethane-1,2-diylbis(oxy))bis(2,1-phenylene))bis((2-(2-(octyloxy)ethoxy)-2-oxoethyl)azanediyl))diacetic acidN,N'-[1,2-Ethanediylbis(oxy-2,1-phenylene)]bis[N-(carboxymethyl)glycine 1,1'-bis[2-(octyloxy)ethyl] ester2-[2-[2-[2-[carboxymethyl-[2-(2-octoxyethoxy)-2-oxoethyl]amino]phenoxy]ethoxy]-N-[2-(2-octoxyethoxy)-2-oxoethyl]anilino]acetic acid1,2-Bis(2-aminophenoxy)ethane-N,N-di(2-octyloxyethyl acetate)-N,N-diacetic acidGlycine, N,N'-(1,2-ethanediylbis(oxy-2,1-phenylene))bis(N-(carboxymethyl)-, 1,1'-bis(2-(octyloxy)ethyl) esterCID 9810955SCHEMBL720046orb1697362
Datenbank-Bezeichner
- CAS
222315-88-0- PubChem CID
- 9810955
- DTXSID
DTXSID20187908
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 9,4
- Polarare Oberfläche (TPSA)
- 171 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 14
- Frei drehbare Bindungen
- 37
- Schwere Atome
- 56
- Formalladung
- 0
- Komplexität
- 969
Physikochemische Eigenschaften
- Schmelzpunkt
- 121 · 121-122 °C
- Siedepunkt
- 864.8 · 864.8±65.0 °C(Predicted)
- Dichte
- 1.161 · 1.161
- Aggregatzustand
- Solid
- pka
- 2 · 2.00±0.10(Predicted)
- Farbe
- White to light yellow
- InChIKey
- FTGBVHPWUIHWRH-UHFFFAOYSA-N
- SMILES
- C(OC1=CC=CC=C1N(CC(O)=O)CC(OCCOCCCCCCCC)=O)COC1=CC=CC=C1N(CC(O)=O)CC(OCCOCCCCCCCC)=O
Chemie und Industrie
Pharmakologische Informationen
Mechanism of Action
DP-b99 is a discovery product, rationally designed using D-Pharm’s proprietary technology, Membrane Active Chelators (MAC). Considerable evidence suggests that redistribution of metal ions and disturbances in metal ion homeostasis are key components in the cascade of events underlying cell damage in stroke. In the first hours post-stroke ion disturbances cause excitatory cell damage and in the days and weeks following they contribute to edema, inflammation and cell death. DP-b99 is a novel approach to neuroprotection based on selective modulation of calcium, zinc, copper and iron homeostasis in the vicinity of cell membranes.
Anbieter6 Anbieter
上海瑞诗化工有限公司86-021-54933292 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
兰州安杰利生物化学科技有限公司0931-8235634 13321316780 · [email protected]
上海腾渤医药科技有限公司021-54338626 18017892860 · [email protected]
上海智乾生物科技有限公司[email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Notizen zur Verbindung
Wird geladen…