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Avotaciclib

CAT: 0931-T39403-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T39403-04Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1983983-41-0
Target
Apoptosis, CDK
Related Pathways
Apoptosis, Cell Cycle/Checkpoint
Purity
0.9843
Bioactivity
Avotaciclib (BEY1107) is a potent, orally active cyclin-dependent kinase 1 (CDK1) inhibitor, suitable for research in locally advanced or metastatic pancreatic cancer.
Smiles
OC1=C(N=C(C=C1)C2=NC(N)=NC=C2)C3=NC(N)=NC=C3
Molecular Formula
C13H11N7O
Molecular Weight
281.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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
GTR19189485-01Avotaciclib
MBS5812557Avotaciclib sulfate
GTR19231199-01Avotaciclib hydrochloride
E1605-01Avotaciclib trihydrochloride
HY-137432DAvotaciclib (sulfate)
HY-137432A-01Avotaciclib (trihydrochloride)
HY-137432B-01Avotaciclib (hydrochloride)

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