WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H555189
CAS#: 2075629-81-9
Description: PF-06795071 is a potent and selective covalent MAGL inhibitor with MAGL IC50 = 3 nM; FAAH IC50 = 3.1 µM; log D= 3.8; Cb,u/Cp,u = 1.4. PF-06795071 features a novel trifluoromethyl glycol leaving group which confers significant physicochemical property improvements as compared with earlier inhibitor series with more lipophilic leaving groups. The design strategy focused on identifying an optimized leaving group that delivers MAGL potency, serine hydrolase selectivity, and CNS exposure; while simultaneously, reducing LogD, improving solubility, and minimizing chemical lability. PF-06795071 achieves excellent CNS exposure, extended 2-AG elevation effect in vivo, and decreased brain inflammatory markers in response to an inflammatory challenge.
Hodoodo Cat#: H555189
Name: PF-06795071
CAS#: 2075629-81-9
Chemical Formula: C18H17F4N3O3
Exact Mass: 399.12
Molecular Weight: 399.346
Elemental Analysis: C, 54.14; H, 4.29; F, 19.03; N, 10.52; O, 12.02
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Synonym: PF-06795071; PF 06795071; PF06795071.
IUPAC/Chemical Name: (2R)-1,1,1-Trifluoro-3-hydroxypropan-2-yl (1R,5S,6r)-6-[1-(4-Fluorophenyl)-1H-pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
InChi Key: MEDCQBUTCWNKGW-CLWVCHIJSA-N
InChi Code: InChI=1S/C18H17F4N3O3/c19-10-1-3-11(4-2-10)25-6-5-14(23-25)16-12-7-24(8-13(12)16)17(27)28-15(9-26)18(20,21)22/h1-6,12-13,15-16,26H,7-9H2/t12-,13+,15-,16+/m1/s1
SMILES Code: O=C(N1C[C@@]2([H])[C@H](C3=NN(C4=CC=C(F)C=C4)C=C3)[C@@]2([H])C1)O[C@H](CO)C(F)(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: Monoacylglycerol lipase (MAGL) inhibition provides a potential treatment approach to neuroinflammation through modulation of both the endocannabinoid pathway, and arachidonoyl signaling in the central nervous system (CNS).
| Biological target: | |
| In vitro activity: | |
| In vivo activity: |
The following data is based on the product molecular weight 399.35 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.
| 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: |
1: McAllister LA, Butler CR, Mente S, O'Neil SV, Fonseca KR, Piro JR, Cianfrogna
JA, Foley TL, Gilbert AM, Harris AR, Helal CJ, Johnson DS, Montgomery JI, Nason
DM, Noell S, Pandit J, Rogers BN, Samad TA, Shaffer CL, da Silva RG, Uccello DP,
Webb D, Brodney MA. Discovery of Trifluoromethyl Glycol Carbamates as Potent and
Selective Covalent Monoacylglycerol Lipase (MAGL) Inhibitors for Treatment of
Neuroinflammation. J Med Chem. 2018 Mar 2. doi: 10.1021/acs.jmedchem.8b00070.
[Epub ahead of print] PubMed PMID: 29498843.
