PAFAH1b2
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MedKoo CAT#: 562552

CAS#: 942285-55-4

Description: PAFAH1b2 is a selective inhibitor of platelet-activating factor acetylhydrolases 1b2 and 1b3. It acts by impairing cancer cell survival.

Chemical Structure

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PAFAH1b2
CAS# 942285-55-4
Product data Instruction

Theoretical Analysis

MedKoo Cat#: 562552
Name: PAFAH1b2
CAS#: 942285-55-4
Chemical Formula: C30H33NO4S
Exact Mass: 503.21
Molecular Weight: 503.657
Elemental Analysis: C, 71.54; H, 6.60; N, 2.78; O, 12.71; S, 6.37

Price and Availability

Size Price Availability Quantity
1mg USD 200
5mg USD 440
10mg USD 780
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Synonym: PAFAH1b2; PAFAH-1-b-2; PAFAH 1 b 2; 3-IN-P11; 3 IN P11; 3INP11; 3 inhibitor P11; 3-inhibitor-P11; P11; P-11; P 11;

IUPAC/Chemical Name: (2R,6R)-rel-2-[4-(1,1-dimethylethyl)phenyl]-1,2,5,6-tetrahydro-6-(4-methylphenyl)-1-[(4-methylphenyl)sulfonyl]-3-pyridinecarboxylic acid

InChi Key: KUBDPRSHRVANQQ-VSGBNLITSA-N

InChi Code: InChI=1S/C30H33NO4S/c1-20-6-10-22(11-7-20)27-19-18-26(29(32)33)28(23-12-14-24(15-13-23)30(3,4)5)31(27)36(34,35)25-16-8-21(2)9-17-25/h6-18,27-28H,19H2,1-5H3,(H,32,33)/t27-,28-/m1/s1

SMILES Code: O=C(C1=CC[C@H](C2=CC=C(C)C=C2)N(S(=O)(C3=CC=C(C)C=C3)=O)[C@@H]1C4=CC=C(C(C)(C)C)C=C4)O

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:
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Biological target: PAFAH1b2 is a selective inhibitor of platelet-activating factor acetylhydrolases 1b2 and 1b3.
In vitro activity: Here, this study reports a class of tetrahydropyridine reversible inhibitors of PAFAH1b2/3 discovered using a fluorescence polarization-activity-based protein profiling (fluopol-ABPP) screen of the NIH 300,000+ compound library. The most potent of these agents, P11, exhibited IC50 values of ∼40 and 900 nM for PAFAH1b2 and 1b3, respectively. This study confirms selective inhibition of PAFAH1b2/3 in cancer cells by P11 using an ABPP protocol adapted for in situ analysis of reversible inhibitors and show that this compound impairs tumor cell survival, supporting a role for PAFAH1b2/3 in cancer. Reference: ACS Chem Biol. 2015 Apr 17;10(4):925-32. https://pubmed.ncbi.nlm.nih.gov/25602368/
In vivo activity: TBD

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO:PBS (pH 7.2) (1:1) 0.5 0.99

Preparing Stock Solutions

The following data is based on the product molecular weight 503.66 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: Chang JW, Zuhl AM, Speers AE, Niessen S, Brown SJ, Mulvihill MM, Fan YC, Spicer TP, Southern M, Scampavia L, Fernandez-Vega V, Dix MM, Cameron MD, Hodder PS, Rosen H, Nomura DK, Kwon O, Hsu KL, Cravatt BF. Selective inhibitor of platelet-activating factor acetylhydrolases 1b2 and 1b3 that impairs cancer cell survival. ACS Chem Biol. 2015 Apr 17;10(4):925-32. doi: 10.1021/cb500893q. Epub 2015 Jan 20. PMID: 25602368; PMCID: PMC4402257.
In vitro protocol: Chang JW, Zuhl AM, Speers AE, Niessen S, Brown SJ, Mulvihill MM, Fan YC, Spicer TP, Southern M, Scampavia L, Fernandez-Vega V, Dix MM, Cameron MD, Hodder PS, Rosen H, Nomura DK, Kwon O, Hsu KL, Cravatt BF. Selective inhibitor of platelet-activating factor acetylhydrolases 1b2 and 1b3 that impairs cancer cell survival. ACS Chem Biol. 2015 Apr 17;10(4):925-32. doi: 10.1021/cb500893q. Epub 2015 Jan 20. PMID: 25602368; PMCID: PMC4402257.
In vivo protocol: TBD

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5: Kohnz RA, Mulvihill MM, Chang JW, Hsu KL, Sorrentino A, Cravatt BF, Bandyopadhyay S, Goga A, Nomura DK. Activity-Based Protein Profiling of Oncogene-Driven Changes in Metabolism Reveals Broad Dysregulation of PAFAH1B2 and 1B3 in Cancer. ACS Chem Biol. 2015 Jul 17;10(7):1624-30. doi: 10.1021/acschembio.5b00053. Epub 2015 May 7. PubMed PMID: 25945974; PubMed Central PMCID: PMC4702252.

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8: Mulvihill MM, Benjamin DI, Ji X, Le Scolan E, Louie SM, Shieh A, Green M, Narasimhalu T, Morris PJ, Luo K, Nomura DK. Metabolic profiling reveals PAFAH1B3 as a critical driver of breast cancer pathogenicity. Chem Biol. 2014 Jul 17;21(7):831-40. doi: 10.1016/j.chembiol.2014.05.008. Epub 2014 Jun 19. PubMed PMID: 24954006; PubMed Central PMCID: PMC4119799.

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12: Zhou G, Marathe GK, Hartiala J, Hazen SL, Allayee H, Tang WH, McIntyre TM. Aspirin hydrolysis in plasma is a variable function of butyrylcholinesterase and platelet-activating factor acetylhydrolase 1b2 (PAFAH1b2). J Biol Chem. 2013 Apr 26;288(17):11940-8. doi: 10.1074/jbc.M112.427674. Epub 2013 Mar 18. PubMed PMID: 23508960; PubMed Central PMCID: PMC3636881.

13: Page RM, Münch A, Horn T, Kuhn PH, Colombo A, Reiner O, Boutros M, Steiner H, Lichtenthaler SF, Haass C. Loss of PAFAH1B2 reduces amyloid-β generation by promoting the degradation of amyloid precursor protein C-terminal fragments. J Neurosci. 2012 Dec 12;32(50):18204-14. doi: 10.1523/JNEUROSCI.2681-12.2012. PubMed PMID: 23238734.

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19: Assadi AH, Zhang G, McNeil R, Clark GD, D'Arcangelo G. Pafah1b2 mutations suppress the development of hydrocephalus in compound Pafah1b1; Reln and Pafah1b1; Dab1 mutant mice. Neurosci Lett. 2008 Jul 4;439(1):100-5. doi: 10.1016/j.neulet.2008.04.096. Epub 2008 May 2. PubMed PMID: 18514414; PubMed Central PMCID: PMC2680094.

20: Scott BT, Olson N, Long GL, Bovill EG. Novel isoforms of intracellular platelet activating factor acetylhydrolase (PAFAH1b2) in human testis; encoded by alternatively spliced mRNAs. Prostaglandins Other Lipid Mediat. 2008 Mar;85(3-4):69-80. Epub 2007 Nov 9. PubMed PMID: 18155631; PubMed Central PMCID: PMC2349101.