Grundinformationen
- Standard-SMILES
COc1c(C)cnc(Cn2cc(C#CCCOP(=O)(O)O)c3c(Cl)nc(N)nc32)c1C- InChIKey
BMZGPNGECPQAGB-UHFFFAOYSA-N- Summenformel
- C19H21ClN5O5P
- Durchschnittliche Molmasse
- 465,8 g/mol
Überblick
Hsp90 Inhibitor BIIB028 is a small-molecule inhibitor of heat shock protein (Hsp) 90 with potential antineoplastic activity. Hsp90 inhibitor BIIB028 blocks the binding of oncogenic client proteins to Hsp90, which may result in the proteasomal degradation of these proteins and so the inhibition of tumor cell proliferation. Hsp90 is a molecular chaperone that plays a key role in the conformational maturation of oncogenic signaling proteins, such as Her2/Erbb2, Akt, Raf1, Bcr-Abl, and mutated p53, in addition to other molecules involved in cell cycle regulation and immune responses.
Namen und Bezeichner
- Bevorzugter Name
- Biib-028
- IUPAC
- 4-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]but-3-ynyl dihydrogen phosphate
Namen und Synonyme
BIIB-028UNII-KD4GWWK5974-(2-Amino-4-chloro-7-((4-methoxy-3,5-dimethyl-2-pyridyl)methyl)pyrrolo(2,3-d)pyrimidin-5-yl)but-3-ynyl dihydrogen phosphate3-Butyn-1-ol, 4-(2-amino-4-chloro-7-((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)-7H-pyrrolo(2,3-d)pyrimidin-5-yl)-, 1-(dihydrogen phosphate)RefChem:119786Hsp90 Inhibitor BIIB028BIIB028911398-13-5KD4GWWK597SCHEMBL327150orb1741097CHEMBL4297359
Weitere Namen anzeigen
BMZGPNGECPQAGB-UHFFFAOYSA-NGLXC-15054CF3647HY-12933T683834-(2-amino-4-chloro-7-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl)but-3-ynyl dihydrogen phosphate4-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]but-3-ynyl dihydrogen phosphate
Datenbank-Bezeichner
- CAS
911398-13-5- PubChem CID
- 57713852
- ChEMBL
CHEMBL4297359- UNII
- KD4GWWK597
- Nikkaji
- J3.354.009D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,4
- Polarare Oberfläche (TPSA)
- 146 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 9
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 31
- Formalladung
- 0
- Komplexität
- 729
Zugehörige Reaktionen
1
Verknüpfte Notizen
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