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Zatolmilast

CAT: 0804-HY-117571-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-117571-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Zatolmilast (BPN14770) is a selective phosphodiesterase 4D (PDE4D) allosteric inhibitor with IC50s of 7.8 nM and 7.4 nM for PDE4D7 and PDE4D3, respectively[1].
CAS Number
1606974-33-7
Product Name Alternative
BPN14770
UNSPSC
12352005
Hazard Statement
H302, H312, H332
Target
Phosphodiesterase (PDE)
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/bpn14770.html
Purity
99.50
Solubility
DMSO : ≥ 100 mg/mL
Smiles
O=C(O)CC1=CC=C(CC2=CC(C3=CC=CC(Cl)=C3)=NC(C(F)(F)F)=C2)C=C1
Molecular Formula
C21H15ClF3NO2
Molecular Weight
405.80
Precautions
H302, H312, H332
References & Citations
[1]Ricciarelli R, et al. Memory-enhancing effects of GEBR-32a, a new PDE4D inhibitor holding promise for the treatment of Alzheimer's disease. Sci Rep. 2017 Apr 12;7:46320.|[2]Gurney ME, et al. Design and Synthesis of Selective Phosphodiesterase 4D (PDE4D) Allosteric Inhibitors for the Treatment of Fragile X Syndrome and Other Brain Disorders. J Med Chem. 2019 May 23;62 (10) :4884-4901.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 3
Isoform
PDE4

Chemical Information

Zatolmilast

BPN-14770 is under investigation in clinical trial NCT02840279 (A Multiple Ascending Dose Study of BPN14770 in Healthy Young and Elderly Male or Female Subjects).

CAS Number1606974-33-7
PubChem CID90111638
IUPAC Name2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]methyl]phenyl]acetic acid
Molecular FormulaC21H15ClF3NO2
Molecular Weight405.8
XLogP5.4
Topological Polar Surface Area50.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity522
SMILES
C1=CC(=CC(=C1)Cl)C2=NC(=CC(=C2)CC3=CC=C(C=C3)CC(=O)O)C(F)(F)F
InChI
InChI=1S/C21H15ClF3NO2/c22-17-3-1-2-16(12-17)18-9-15(10-19(26-18)21(23,24)25)8-13-4-6-14(7-5-13)11-20(27)28/h1-7,9-10,12H,8,11H2,(H,27,28)
InChIKey
LTSUMTMGJHPGFX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Zatolmilast
CAS: 1606974-33-7
CID: 90111638
Formula: C21H15ClF3NO2
MW: 405.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight405.8
XLogP35.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass405.0743409
Monoisotopic Mass405.0743409
Topological Polar Surface Area50.2 Ų
Heavy Atom Count28
Formal Charge0
Complexity522
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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