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PDDC

CAT: 0804-HY-156800-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-156800-02Size:10 mg
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Description
PDDC is a compound used to inhibit Alzheimer's disease. It is a nSMase2 inhibitor that can inhibit tau-induced nSMase2 activity and ceramide elevation, and slow the spread of tau in mouse models.
CAS Number
2232878-43-0
UNSPSC
12352005
Hazard Statement
H302, H315, H319
Target
Phospholipase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/pddc.html
Concentration
10mM
Purity
99.97
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
CC1=C(C2=CC(OC)=C(C=C2)OC)N(N=C(C=C3N4C[C@@H](CC4)NC(OC5=CC=CC=C5)=O)C)C3=N1
Molecular Formula
C27H29N5O4
Molecular Weight
487.55
Precautions
H302, H315, H319
References & Citations
[1]Inhibiting tau-induced elevated nSMase2 activity and ceramides is therapeutic in an Alzheimer's disease mouse model
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Phenyl (R)-(1-(3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl)carbamate
CAS Number2232878-43-0
PubChem CID135217203
IUPAC Namephenyl N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]carbamate
Molecular FormulaC27H29N5O4
Molecular Weight487.5
XLogP4.3
Topological Polar Surface Area90.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count36
Formal Charge0
Complexity737
SMILES
CC1=NN2C(=C(N=C2C(=C1)N3CC[C@H](C3)NC(=O)OC4=CC=CC=C4)C)C5=CC(=C(C=C5)OC)OC
InChI
InChI=1S/C27H29N5O4/c1-17-14-22(31-13-12-20(16-31)29-27(33)36-21-8-6-5-7-9-21)26-28-18(2)25(32(26)30-17)19-10-11-23(34-3)24(15-19)35-4/h5-11,14-15,20H,12-13,16H2,1-4H3,(H,29,33)/t20-/m1/s1
InChIKey
FRUASAKWCGALLP-HXUWFJFHSA-N
Chemical Structure
2D Structure
2D structure of Phenyl (R)-(1-(3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl)carbamate
CAS: 2232878-43-0
CID: 135217203
Formula: C27H29N5O4
MW: 487.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight487.5
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass487.22195442
Monoisotopic Mass487.22195442
Topological Polar Surface Area90.2 Ų
Heavy Atom Count36
Formal Charge0
Complexity737
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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