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BPN14770

CAT: 0013-GTR19156015-03Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19156015-03Size:1 g
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Description
BPN14770 is an allosteric inhibitor of selective phosphodiesterase 4D (PDE4D; IC50s: 7.8 nM and 7.4 nM for PDE4D7 and PDE4D3) .
CAS Number
1606974-33-7
Purity
>98% (HPLC)
Solubility
DMSO:260 mg/mL (640.71 mM; Need ultrasonic)
Smiles
OC (Cc1ccc (Cc2cc (-c3cccc (Cl) c3) nc (C (F) (F) F) c2) cc1) =O
Molecular Formula
C21H15ClF3NO2
Molecular Weight
405.8
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

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

Alternative Products

CatalogName
M23705-01BPN14770
A18663-10BPN14770 10mg
M12309BPN14770 (b)
C12263-2mgZatolmilast (BPN14770)
A18663-200BPN14770 200mg
A18663-25BPN14770 25mg
A18663-5BPN14770 5mg
A18663-100BPN14770 100mg
A18663-50BPN14770 50mg
A18663-1BPN14770 1mg

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