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MedKoo Cat#: 520521 | Name: PF-05180999
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Description:

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

PF-05180999 is a potent and selective PDE2a inhibitor (PDE2a IC50 = 0.001 μM, 2000-fold selective over PDE10) with a reasonable free brain/plasma ratio in rats (0.5). PF-05180999 was evaluated for schizophrenia and migraine, but no further development has been reported since 2014.

Chemical Structure

PF-05180999
CAS# 1394033-54-5

Theoretical Analysis

MedKoo Cat#: 520521

Name: PF-05180999

CAS#: 1394033-54-5

Chemical Formula: C19H17F3N8

Exact Mass: 414.1528

Molecular Weight: 414.40

Elemental Analysis: C, 55.07; H, 4.14; F, 13.75; N, 27.04

Price and Availability

Size Price Availability Quantity
25mg USD 450.00 2 Weeks
100mg USD 1,350.00 2 Weeks
1g USD 4,250.00 2 Weeks
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Related CAS #
No Data
Synonym
PF05180999; PF-05180999; PF 5180999; PF5180999; PF-5180999; PF 5180999; PF999; PF-999; PF 999
IUPAC/Chemical Name
4-(1-Azetidinyl)-7-methyl-5-[1-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]-imidazo[5,1-f][1,2,4]triazine
InChi Key
CLGCHUKGBICQTE-UHFFFAOYSA-N
InChi Code
InChI=1S/C19H17F3N8/c1-11-27-15(17-18(29-6-3-7-29)24-10-26-30(11)17)13-9-25-28(2)16(13)14-5-4-12(8-23-14)19(20,21)22/h4-5,8-10H,3,6-7H2,1-2H3
SMILES Code
FC(C1=CN=C(C2=C(C3=C4C(N5CCC5)=NC=NN4C(C)=N3)C=NN2C)C=C1)(F)F
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
>2 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:
PF-05180999 (PF-999) is a phosphodiesterase 2A (PDE2A) inhibitor, with an IC50 of 1.6 nM.
In vitro activity:
TBD
In vivo activity:
The analog PF-05180999 (30) was subsequently identified as a preclinical candidate targeting cognitive impairment associated with schizophrenia. Compound 30 demonstrated potent binding to PDE2A in brain tissue, dose responsive mouse brain cGMP increases, and reversal of N-methyl-d-aspartate (NMDA) antagonist-induced (MK-801, ketamine) effects in electrophysiology and working memory models in rats. Reference: J Med Chem. 2018 Feb 8;61(3):1001-1018. https://pubmed.ncbi.nlm.nih.gov/29293004/
Solvent mg/mL mM comments
Solubility
DMSO 35.4 85.33
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 414.40 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. Gu G, Scott T, Yan Y, Warren N, Zhang A, Tabatabaei A, Xu H, Aertgeerts K, Gomez L, Morse A, Li YW, Breitenbucher JG, Massari E, Vivian J, Danks A. Target Engagement of a Phosphodiesterase 2A Inhibitor Affecting Long-Term Memory in the Rat. J Pharmacol Exp Ther. 2019 Sep;370(3):399-407. doi: 10.1124/jpet.118.255851. Epub 2019 Jun 28. PMID: 31253692. 2. Helal CJ, Arnold E, Boyden T, Chang C, Chappie TA, Fisher E, Hajos M, Harms JF, Hoffman WE, Humphrey JM, Pandit J, Kang Z, Kleiman RJ, Kormos BL, Lee CW, Lu J, Maklad N, McDowell L, McGinnis D, O'Connor RE, O'Donnell CJ, Ogden A, Piotrowski M, Schmidt CJ, Seymour PA, Ueno H, Vansell N, Verhoest PR, Yang EX. Identification of a Potent, Highly Selective, and Brain Penetrant Phosphodiesterase 2A Inhibitor Clinical Candidate. J Med Chem. 2018 Feb 8;61(3):1001-1018. doi: 10.1021/acs.jmedchem.7b01466. Epub 2018 Jan 16. PMID: 29293004.
In vitro protocol:
TBD
In vivo protocol:
1. Gu G, Scott T, Yan Y, Warren N, Zhang A, Tabatabaei A, Xu H, Aertgeerts K, Gomez L, Morse A, Li YW, Breitenbucher JG, Massari E, Vivian J, Danks A. Target Engagement of a Phosphodiesterase 2A Inhibitor Affecting Long-Term Memory in the Rat. J Pharmacol Exp Ther. 2019 Sep;370(3):399-407. doi: 10.1124/jpet.118.255851. Epub 2019 Jun 28. PMID: 31253692. 2. Helal CJ, Arnold E, Boyden T, Chang C, Chappie TA, Fisher E, Hajos M, Harms JF, Hoffman WE, Humphrey JM, Pandit J, Kang Z, Kleiman RJ, Kormos BL, Lee CW, Lu J, Maklad N, McDowell L, McGinnis D, O'Connor RE, O'Donnell CJ, Ogden A, Piotrowski M, Schmidt CJ, Seymour PA, Ueno H, Vansell N, Verhoest PR, Yang EX. Identification of a Potent, Highly Selective, and Brain Penetrant Phosphodiesterase 2A Inhibitor Clinical Candidate. J Med Chem. 2018 Feb 8;61(3):1001-1018. doi: 10.1021/acs.jmedchem.7b01466. Epub 2018 Jan 16. PMID: 29293004.
1. Design and Synthesis of Novel and Selective Phosphodiesterase 2 (PDE2a) Inhibitors for the Treatment of Memory Disorders Laurent GomezMark Eben MassariTroy VickersGraeme FreestoneWilliam VernierKiev LyRui XuMargaret McCarrickTami MarroneMarkus MetzYingzhou G. YanZachary W. YoderRobert LemusNicola J. BroadbentRichard BaridoNoelle WarrenKara SchmelzerDavid NeulDong LeeCarsten B. AndersenKristen SebringKathleen AertgeertsXianbo ZhouAli TabatabaeiMarco PetersJ. Guy Breitenbucher Publication Date (Web): February 6, 2017 (Article) DOI: 10.1021/acs.jmedchem.6b01793 2. Helal, C. J.; Chappie, T. A.; Humphrey, J. M.; Verhoest, P. R.; Yang, E. Imidazo[5,1-f][1,2,4]triazines for the Treatment of Neurological Disorders. US20120214791, 2012. 3: Helal CJ, Arnold EP, Boyden TL, Chang C, Chappie TA, Fisher E, Hajós M, Harms JF, Hoffmann WE, Humphrey JM, Pandit J, Kang Z, Kleiman RJ, Kormos BL, Lee CW, Lu J, Maklad N, McDowell L, McGinnis D, O'Connor RE, O'Donnell CJ, Ogden A, Piotrowski M, Schmidt CJ, Seymour P, Ueno H, Vansell N, Verhoest PR, Yang EX. Identification of a Potent, Highly Selective, and Brain Penetrant Phosphodiesterase 2A Inhibitor Clinical Candidate. J Med Chem. 2018 Jan 2. doi: 10.1021/acs.jmedchem.7b01466. [Epub ahead of print] PubMed PMID: 29293004. 4: Chen L, Nabulsi N, Naganawa M, Zasadny K, Skaddan MB, Zhang L, Najafzadeh S, Lin SF, Helal CJ, Boyden TL, Chang C, Ropchan J, Carson RE, Villalobos A, Huang Y. Preclinical Evaluation of 18F-PF-05270 430, a Novel PET Radioligand for the Phosphodiesterase 2A Enzyme. J Nucl Med. 2016 Sep;57(9):1448-53. doi: 10.2967/jnumed.115.171454. Epub 2016 May 19. PubMed PMID: 27199356; PubMed Central PMCID: PMC5093921. 5: Wu Y, Li Z, Huang YY, Wu D, Luo HB. Novel Phosphodiesterase Inhibitors for Cognitive Improvement in Alzheimer's Disease. J Med Chem. 2018 Feb 5. doi: 10.1021/acs.jmedchem.7b01370. [Epub ahead of print] PubMed PMID: 29363967.