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BIIB028

CAT: 0013-GTR19211946-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19211946-01Size:25 mg
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Description
BIIB028 is a small-molecule Hsp90 inhibitor with antineoplastic potential. By disrupting Hsp90-client protein interactions, it induces the degradation of oncogenic proteins like Her2 and Akt, inhibiting tumor proliferation. Its research applications include in vitro cell-based assays and in vivo xenograft studies for cancer therapeutics.
CAS Number
911398-13-5
Field of Research
Metabolism Research, Signal Transduction
Smiles
C (#CCCOP (=O) (O) O) C=1C=2C (N (CC3=C (C) C (OC) =C (C) C=N3) C1) =NC (N) =NC2Cl
Molecular Formula
C19H21ClN5O5P
Molecular Weight
465.83
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Biib-028

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.

CAS Number911398-13-5
PubChem CID57713852
IUPAC Name4-[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
Molecular FormulaC19H21ClN5O5P
Molecular Weight465.8
XLogP1.4
Topological Polar Surface Area146
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity729
SMILES
CC1=CN=C(C(=C1OC)C)CN2C=C(C3=C2N=C(N=C3Cl)N)C#CCCOP(=O)(O)O
InChI
InChI=1S/C19H21ClN5O5P/c1-11-8-22-14(12(2)16(11)29-3)10-25-9-13(6-4-5-7-30-31(26,27)28)15-17(20)23-19(21)24-18(15)25/h8-9H,5,7,10H2,1-3H3,(H2,21,23,24)(H2,26,27,28)
InChIKey
BMZGPNGECPQAGB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Biib-028
CAS: 911398-13-5
CID: 57713852
Formula: C19H21ClN5O5P
MW: 465.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight465.8
XLogP31.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass465.0968835
Monoisotopic Mass465.0968835
Topological Polar Surface Area146 Ų
Heavy Atom Count31
Formal Charge0
Complexity729
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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