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Anagrelide (hydrochloride monohydrate)

CAT: 0804-HY-B0523BSize: 1 EachDry Ice: NoHazardous: No
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Description
Anagrelide hydrochloride monohydrate is a potent inhibitor of phosphodiesterase type III (PDE3) (IC50=36 nM) . Anagrelide hydrochloride monohydrate, an imidazoquinazoline derivative, acts as an inhibitor of platelet aggregation. Anagrelide hydrochloride monohydrate inhibits bone marrow megakaryocytopoiesis. Anagrelide hydrochloride monohydrate decreases gastrointestinal stromal tumor (GIST) cell proliferation and promotes their apoptosis in vitro. Anagrelide hydrochloride monohydrate is a platelet-lowering agent and plays in the antithrombopoietic action[1][2][3].
CAS Number
823178-43-4
UNSPSC
12352005
Hazard Statement
H302
Target
Apoptosis; Phosphodiesterase (PDE)
Type
Reference compound
Related Pathways
Apoptosis; Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Cancer; Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/anagrelide-hydrochloride-monohydrate.html
Solubility
10 mM in DMSO
Smiles
ClC1=C(CN(C2)C3=NC2=O)C(N3)=CC=C1Cl.O.Cl
Molecular Formula
C10H10Cl3N3O2
Molecular Weight
310.56
Precautions
P264-P270-P330-P501
References & Citations
[1]Pescatore SL, et al. Anagrelide: a novel agent for the treatment of myeloproliferative disorders. Expert Opin Pharmacother. 2000 Mar;1 (3) :537-46. |[2]Mahajan R, et al. Phosphodiesterase inhibitors and their role in therapeutics[J]. Journal of Research in Medical Education & Ethics, 2013, 3 (2) : 115-123.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Phase 4
Isoform
PDE3

Chemical Information

Anagrelide Hydrochloride Hydrate

See also: Anagrelide (annotation moved to).

CAS Number823178-43-4
PubChem CID135565321
IUPAC Name6,7-dichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;hydrate;hydrochloride
Molecular FormulaC10H10Cl3N3O2
Molecular Weight310.6
Topological Polar Surface Area45.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity360
SMILES
C1C2=C(C=CC(=C2Cl)Cl)N=C3N1CC(=O)N3.O.Cl
InChI
InChI=1S/C10H7Cl2N3O.ClH.H2O/c11-6-1-2-7-5(9(6)12)3-15-4-8(16)14-10(15)13-7;;/h1-2H,3-4H2,(H,13,14,16);1H;1H2
InChIKey
YLFXXKJQBOJJIX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Anagrelide Hydrochloride Hydrate
CAS: 823178-43-4
CID: 135565321
Formula: C10H10Cl3N3O2
MW: 310.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight310.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass308.983860
Monoisotopic Mass308.983860
Topological Polar Surface Area45.7 Ų
Heavy Atom Count18
Formal Charge0
Complexity360
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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