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Avotaciclib

CAT: 0013-GTR19189485-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19189485-01Size:1 mg
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Description
Avotaciclib (BEY1107) is an orally bioavailable, potent inhibitor of cyclin-dependent kinase 1 (CDK1) . It is a research compound used in preclinical studies, including in vitro and in vivo models, to investigate therapeutic strategies for cancers such as locally advanced or metastatic pancreatic adenocarcinoma.
CAS Number
1983983-41-0
Product Name Alternative
CDK1, BEY1107, BEY 1107, BEY-1107, Avotaciclib
Field of Research
Cell Biology
Purity
97.98% (May vary between batches)
Solubility
DMSO:50 mg/mL (177.77 mM)
Smiles
OC1=C (N=C (C=C1) C2=NC (N) =NC=C2) C3=NC (N) =NC=C3
Molecular Formula
C13H11N7O
Molecular Weight
281.27
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Avotaciclib

Avotaciclib is under investigation in clinical trial NCT03579836 (Evaluation of Safety and Efficacy in BEY1107 in Monotherapy Gemcitabine Combination in Patient With Pancreatic Cancer).

CAS Number1983983-41-0
PubChem CID137150099
IUPAC Name2,6-bis(2-aminopyrimidin-4-yl)pyridin-3-ol
Molecular FormulaC13H11N7O
Molecular Weight281.27
XLogP-0.2
Topological Polar Surface Area137
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity344
SMILES
C1=CC(=NC(=C1O)C2=NC(=NC=C2)N)C3=NC(=NC=C3)N
InChI
InChI=1S/C13H11N7O/c14-12-16-5-3-8(19-12)7-1-2-10(21)11(18-7)9-4-6-17-13(15)20-9/h1-6,21H,(H2,14,16,19)(H2,15,17,20)
InChIKey
VFVAQKKPFOPZEA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Avotaciclib
CAS: 1983983-41-0
CID: 137150099
Formula: C13H11N7O
MW: 281.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight281.27
XLogP3-0.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass281.10250800
Monoisotopic Mass281.10250800
Topological Polar Surface Area137 Ų
Heavy Atom Count21
Formal Charge0
Complexity344
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

Alternative Products

CatalogName
M35116-01Avotaciclib
HY-137432DAvotaciclib (sulfate)
T70014-01Avotaciclib sulfate
T78137-01Avotaciclib hydrochloride
C01760-25mgAvotaciclib trihydrochloride
HY-137432A-01Avotaciclib (trihydrochloride)
HY-137432B-01Avotaciclib (hydrochloride)

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