Biib-028

HCID 57713852

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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

Chemistry & industry

Suppliers1 total

TargetMol中国(陶术生物)15002134094 · [email protected]

Related reactions

1 records

Compound notes

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