PF-04859989 HCl
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Hodoodo CAT#: H532461

CAS#: 177943-33-8 (PF-04859989 HCl)

Description: PF-04859989 HCl is a brain-penetrable irreversible inhibitor of kynurenine amino transferase II (KAT II), the enzyme responsible for most of the brain synthesis of kynurenic acid. PF-04859989 HCl has been implicated in several psychiatric and neurological disorders, including schizophrenia and bipolar disorder.


Chemical Structure

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PF-04859989 HCl
CAS# 177943-33-8 (PF-04859989 HCl)

Theoretical Analysis

Hodoodo Cat#: H532461
Name: PF-04859989 HCl
CAS#: 177943-33-8 (PF-04859989 HCl)
Chemical Formula: C7H6BrCl2NO2
Exact Mass: 0.00
Molecular Weight: 286.934
Elemental Analysis: C, 29.30; H, 2.11; Br, 27.85; Cl, 24.71; N, 4.88; O, 11.15

Price and Availability

Size Price Availability Quantity
10mg USD 300 2 Weeks
50mg USD 950 2 Weeks
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Related CAS #: 56433-01-3 (PF-04859989); 177943-33-8 (PF-04859989 HCl)  

Synonym: PF-04859989 HCl; PF-04859989HCl; PF-04859989; PF 04859989; PF04859989.

IUPAC/Chemical Name: 2-(Bromomethyl)-1-chloro-3-nitrobenzene HCl

InChi Key: MVBWOEUQKOAQOW-UHFFFAOYSA-N

InChi Code: InChI=1S/C7H5BrClNO2.ClH/c8-4-5-6(9)2-1-3-7(5)10(11)12;/h1-3H,4H2;1H

SMILES Code: O=[N+](C1=C(CBr)C(Cl)=CC=C1)[O-].[H]Cl

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:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 286.93 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:
In vitro protocol:
In vivo protocol:

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1: Nematollahi A, Sun G, Jayawickrama GS, Hanrahan JR, Church WB. Study of the Activity and Possible Mechanism of Action of a Reversible Inhibitor of Recombinant Human KAT-2: A Promising Lead in Neurodegenerative and Cognitive Disorders. Molecules. 2016 Jun 29;21(7). pii: E856. doi: 10.3390/molecules21070856. PubMed PMID: 27367665.

2: Linderholm KR, Alm MT, Larsson MK, Olsson SK, Goiny M, Hajos M, Erhardt S, Engberg G. Inhibition of kynurenine aminotransferase II reduces activity of midbrain dopamine neurons. Neuropharmacology. 2016 Mar;102:42-7. doi: 10.1016/j.neuropharm.2015.10.028. Epub 2015 Oct 24. PubMed PMID: 26514401.

3: Kozak R, Campbell BM, Strick CA, Horner W, Hoffmann WE, Kiss T, Chapin DS, McGinnis D, Abbott AL, Roberts BM, Fonseca K, Guanowsky V, Young DA, Seymour PA, Dounay A, Hajos M, Williams GV, Castner SA. Reduction of brain kynurenic acid improves cognitive function. J Neurosci. 2014 Aug 6;34(32):10592-602. doi: 10.1523/JNEUROSCI.1107-14.2014. PubMed PMID: 25100593.

4: Koshy Cherian A, Gritton H, Johnson DE, Young D, Kozak R, Sarter M. A systemically-available kynurenine aminotransferase II (KAT II) inhibitor restores nicotine-evoked glutamatergic activity in the cortex of rats. Neuropharmacology. 2014 Jul;82:41-8. doi: 10.1016/j.neuropharm.2014.03.004. Epub 2014 Mar 16. PubMed PMID: 24647121; PubMed Central PMCID: PMC4372264.

5: Dounay AB, Anderson M, Bechle BM, Evrard E, Gan X, Kim JY, McAllister LA, Pandit J, Rong S, Salafia MA, Tuttle JB, Zawadzke LE, Verhoest PR. PF-04859989 as a template for structure-based drug design: identification of new pyrazole series of irreversible KAT II inhibitors with improved lipophilic efficiency. Bioorg Med Chem Lett. 2013 Apr 1;23(7):1961-6. doi: 10.1016/j.bmcl.2013.02.039. Epub 2013 Feb 15. PubMed PMID: 23466229.

6: Dounay AB, Anderson M, Bechle BM, Campbell BM, Claffey MM, Evdokimov A, Evrard E, Fonseca KR, Gan X, Ghosh S, Hayward MM, Horner W, Kim JY, McAllister LA, Pandit J, Paradis V, Parikh VD, Reese MR, Rong S, Salafia MA, Schuyten K, Strick CA, Tuttle JB, Valentine J, Wang H, Zawadzke LE, Verhoest PR. Discovery of Brain-Penetrant, Irreversible Kynurenine Aminotransferase II Inhibitors for Schizophrenia. ACS Med Chem Lett. 2012 Jan 25;3(3):187-92. doi: 10.1021/ml200204m. eCollection 2012 Mar 8. PubMed PMID: 24900455; PubMed Central PMCID: PMC4025856.