MedKoo Biosciences, Inc.
Tel:   +1-919-636-5577    Fax:   +1-919-980-4831    Email:   sales@medkoo.com
Search
Login Register
Search
MedKoo Cat#: 555670 | Name: PBD-150
Featured

Description:

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

PBD-150 is a potent glutaminyl cyclase (QC) inhibitor with Ki of 60 nM. PBD-150 possesses higher binding affinity towards sQC than Cpd-41.

Chemical Structure

PBD-150
PBD-150
CAS#790663-33-1

Theoretical Analysis

MedKoo Cat#: 555670

Name: PBD-150

CAS#: 790663-33-1

Chemical Formula: C15H20N4O2S

Exact Mass: 320.1307

Molecular Weight: 320.41

Elemental Analysis: C, 56.23; H, 6.29; N, 17.49; O, 9.99; S, 10.01

Price and Availability

Size Price Availability Quantity
100mg USD 350.00
200mg USD 650.00
500mg USD 1,450.00
1g USD 2,250.00
2g USD 3,850.00
5g USD 5,950.00
Show More
Bulk Inquiry
Buy Now
Add to Cart
Related CAS #
No Data
Synonym
PBD-150; PBD 150; PBD150;
IUPAC/Chemical Name
1-(3,4-dimethoxyphenyl)-3-(3-imidazol-1-ylpropyl)thiourea
InChi Key
FZQXMGLQANXZRP-UHFFFAOYSA-N
InChi Code
InChI=1S/C15H20N4O2S/c1-20-13-5-4-12(10-14(13)21-2)18-15(22)17-6-3-8-19-9-7-16-11-19/h4-5,7,9-11H,3,6,8H2,1-2H3,(H2,17,18,22)
SMILES Code
S=C(NCCCN1C=CN=C1)NC2=CC=C(OC)C(OC)=C2
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
Product Data
Product Data
Instruction
View handling instruction
Biological target:
PBD-150 is a human glutaminyl cyclase (hQC) Y115E-Y117E variant inhibitor, with a Ki value of 490 nM.
In vitro activity:
This study demonstrated in vitro the pGlu formation on MCPs by QC using MS. A potent QC inhibitor, PBD150, significantly reduced the N-terminal uncyclized-MCP-stimulated monocyte migration, whereas pGlu-containing MCP-induced cell migration was unaffected. Reference: Biochem J. 2012 Mar 1;442(2):403-12. https://pubmed.ncbi.nlm.nih.gov/22060158/
In vivo activity:
In a transgenic Drosophila melanogaster (Dm) fruit fly model, oral application of the potent competitive QC inhibitor PBD150 was shown to reduce the burden of pGlu-modified Aβ. In contrast to mammals such as humans and rodents, there are at least three DmQC species, one of which (isoDromeQC) is localized to mitochondria, whereas DromeQC and an isoDromeQC splice variant possess signal peptides for secretion. Reference: Biochemistry. 2012 Sep 18;51(37):7383-92. https://pubmed.ncbi.nlm.nih.gov/22897232/
Solvent mg/mL mM
Solubility
DMF 1.0 3.12
DMSO 63.3 197.66
Ethanol 2.0 6.24
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 320.41 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
Formulation protocol:
1. Chen YL, Huang KF, Kuo WC, Lo YC, Lee YM, Wang AH. Inhibition of glutaminyl cyclase attenuates cell migration modulated by monocyte chemoattractant proteins. Biochem J. 2012 Mar 1;442(2):403-12. doi: 10.1042/BJ20110535. PMID: 22060158. 2. Koch B, Kolenko P, Buchholz M, Carrillo DR, Parthier C, Wermann M, Rahfeld JU, Reuter G, Schilling S, Stubbs MT, Demuth HU. Crystal structures of glutaminyl cyclases (QCs) from Drosophila melanogaster reveal active site conservation between insect and mammalian QCs. Biochemistry. 2012 Sep 18;51(37):7383-92. doi: 10.1021/bi300687g. Epub 2012 Sep 5. PMID: 22897232.
In vitro protocol:
1. Chen YL, Huang KF, Kuo WC, Lo YC, Lee YM, Wang AH. Inhibition of glutaminyl cyclase attenuates cell migration modulated by monocyte chemoattractant proteins. Biochem J. 2012 Mar 1;442(2):403-12. doi: 10.1042/BJ20110535. PMID: 22060158.
In vivo protocol:
1. Koch B, Kolenko P, Buchholz M, Carrillo DR, Parthier C, Wermann M, Rahfeld JU, Reuter G, Schilling S, Stubbs MT, Demuth HU. Crystal structures of glutaminyl cyclases (QCs) from Drosophila melanogaster reveal active site conservation between insect and mammalian QCs. Biochemistry. 2012 Sep 18;51(37):7383-92. doi: 10.1021/bi300687g. Epub 2012 Sep 5. PMID: 22897232.
1: Pozzi C, Di Pisa F, Benvenuti M, Mangani S. The structure of the human glutaminyl cyclase-SEN177 complex indicates routes for developing new potent inhibitors as possible agents for the treatment of neurological disorders. J Biol Inorg Chem. 2018 Dec;23(8):1219-1226. doi: 10.1007/s00775-018-1605-1. Epub 2018 Aug 21. PubMed PMID: 30132075. 2: Brooks AF, Jackson IM, Shao X, Kropog GW, Sherman P, Quesada CA, Scott PJ. Synthesis and evaluation of [(11)C]PBD150, a radiolabeled glutaminyl cyclase inhibitor for the potential detection of Alzheimer's disease prior to amyloid β aggregation. Medchemcomm. 2015 Jun 1;6(6):1065-1068. PubMed PMID: 26101580; PubMed Central PMCID: PMC4474278. 3: Huang KF, Hsu HL, Karim S, Wang AH. Structural and functional analyses of a glutaminyl cyclase from Ixodes scapularis reveal metal-independent catalysis and inhibitor binding. Acta Crystallogr D Biol Crystallogr. 2014 Mar;70(Pt 3):789-801. doi: 10.1107/S1399004713033488. Epub 2014 Feb 22. PubMed PMID: 24598748. 4: Koch B, Buchholz M, Wermann M, Heiser U, Schilling S, Demuth HU. Probing secondary glutaminyl cyclase (QC) inhibitor interactions applying an in silico-modeling/site-directed mutagenesis approach: implications for drug development. Chem Biol Drug Des. 2012 Dec;80(6):937-46. doi: 10.1111/cbdd.12046. Epub 2012 Oct 11. PubMed PMID: 22967026. 5: Koch B, Kolenko P, Buchholz M, Carrillo DR, Parthier C, Wermann M, Rahfeld JU, Reuter G, Schilling S, Stubbs MT, Demuth HU. Crystal structures of glutaminyl cyclases (QCs) from Drosophila melanogaster reveal active site conservation between insect and mammalian QCs. Biochemistry. 2012 Sep 18;51(37):7383-92. doi: 10.1021/bi300687g. Epub 2012 Sep 5. PubMed PMID: 22897232. 6: Chen YL, Huang KF, Kuo WC, Lo YC, Lee YM, Wang AH. Inhibition of glutaminyl cyclase attenuates cell migration modulated by monocyte chemoattractant proteins. Biochem J. 2012 Mar 1;442(2):403-12. doi: 10.1042/BJ20110535. PubMed PMID: 22060158. 7: Ruiz-Carrillo D, Koch B, Parthier C, Wermann M, Dambe T, Buchholz M, Ludwig HH, Heiser U, Rahfeld JU, Stubbs MT, Schilling S, Demuth HU. Structures of glycosylated mammalian glutaminyl cyclases reveal conformational variability near the active center. Biochemistry. 2011 Jul 19;50(28):6280-8. doi: 10.1021/bi200249h. Epub 2011 Jun 27. PubMed PMID: 21671571. 8: Huang KF, Liaw SS, Huang WL, Chia CY, Lo YC, Chen YL, Wang AH. Structures of human Golgi-resident glutaminyl cyclase and its complexes with inhibitors reveal a large loop movement upon inhibitor binding. J Biol Chem. 2011 Apr 8;286(14):12439-49. doi: 10.1074/jbc.M110.208595. Epub 2011 Feb 1. PubMed PMID: 21288892; PubMed Central PMCID: PMC3069447. 9: Cynis H, Scheel E, Saido TC, Schilling S, Demuth HU. Amyloidogenic processing of amyloid precursor protein: evidence of a pivotal role of glutaminyl cyclase in generation of pyroglutamate-modified amyloid-beta. Biochemistry. 2008 Jul 15;47(28):7405-13. doi: 10.1021/bi800250p. Epub 2008 Jun 21. PubMed PMID: 18570439. 10: Dileep, K. V., Sakai, N., Ihara, K., Kato-Murayama, M., Nakata, A., Ito, A., ... & Zhang, K. Y. (2021). Piperidine-4-carboxamide as a new scaffold for designing secretory glutaminyl cyclase inhibitors. International Journal of Biological Macromolecules, 170, 415-423.