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Basic information
- CAS
911398-13-5- Standard SMILES
COc1c(C)cnc(Cn2cc(C#CCCOP(=O)(O)O)c3c(Cl)nc(N)nc32)c1C- InChIKey
BMZGPNGECPQAGB-UHFFFAOYSA-N- Molecular formula
- C19H21ClN5O5P
- Average molar mass
- 465.8 g/mol
Overview
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.
Names & identifiers
- Preferred 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
Names & synonyms
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
Show more names
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
Database identifiers
- CAS
911398-13-5- PubChem CID
- 57713852
- ChEMBL
CHEMBL4297359- UNII
- KD4GWWK597
- Nikkaji
- J3.354.009D
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 729
Chemistry & industry
Suppliers1 total
TargetMol中国(陶术生物)15002134094 · [email protected]
Related reactions
1 records
Compound notes
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