MedKoo Cat#: 463064 | Name: PDDC inhibitor
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

PDDC is the first nSMase2 inhibitor that possesses both favorable pharmacodynamics and pharmacokinetic (PK) parameters, including substantial oral bioavailability, brain penetration, and significant inhibition of exosome release from the brain in vivo.

Chemical Structure

PDDC inhibitor
PDDC inhibitor
CAS#2232878-43-0

Theoretical Analysis

MedKoo Cat#: 463064

Name: PDDC inhibitor

CAS#: 2232878-43-0

Chemical Formula: C27H29N5O4

Exact Mass: 487.2220

Molecular Weight: 487.56

Elemental Analysis: C, 66.51; H, 6.00; N, 14.36; O, 13.13

Price and Availability

Size Price Availability Quantity
25mg USD 1,250.00 2 Weeks
50mg USD 2,250.00 2 Weeks
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Related CAS #
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Synonym
PDDC; nSMase2 inhibitor; PDDC inhibitor;
IUPAC/Chemical Name
phenyl (R)-(1-(3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl)carbamate
InChi Key
FRUASAKWCGALLP-HXUWFJFHSA-N
InChi Code
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
SMILES Code
O=C(OC1=CC=CC=C1)N[C@H]2CN(C3=CC(C)=NN4C3=NC(C)=C4C5=CC=C(OC)C(OC)=C5)CC2
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
There are a number of diseases that have been associated with increases in nSMase2 activity and/or exosome dysfunction, including Alzheimer’s disease (AD), HIV associated neurocognitive disorders (HAND), amyotrophic lateral sclerosis (ALS),15 and metastatic cancer. Moreover, by use of a variety of animal models by independent investigators, genetic and pharmacological inhibition of nSMase2 has been shown to reduce exosome secretion.

Preparing Stock Solutions

The following data is based on the product molecular weight 487.56 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Šála M, Hollinger KR, Thomas AG, et al. Novel Human Neutral Sphingomyelinase 2 Inhibitors as Potential Therapeutics for Alzheimer's Disease. J Med Chem. 2020;63(11):6028-6056. doi:10.1021/acs.jmedchem.0c00278