P053
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MedKoo CAT#: 463756

CAS#: 2748196-63-4

Description: P053 is a the first isoform-specific ceramide synthase inhibitor.


Chemical Structure

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P053
CAS# 2748196-63-4

Theoretical Analysis

MedKoo Cat#: 463756
Name: P053
CAS#: 2748196-63-4
Chemical Formula: C18H21Cl2NO2
Exact Mass: 353.09
Molecular Weight: 354.271
Elemental Analysis: C, 61.03; H, 5.98; Cl, 20.01; N, 3.95; O, 9.03

Price and Availability

Size Price Availability Quantity
10mg USD -2 2 Weeks
25mg USD -2 2 Weeks
50mg USD -2 2 Weeks
100mg USD -2 2 Weeks
200mg USD -2 2 Weeks
500mg USD -2 2 Weeks
2g USD -2 2 Weeks
1mg USD 370 2 Weeks
5mg USD 1080 2 Weeks
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Synonym: P053; P 053; P-053;

IUPAC/Chemical Name: (R)-2-amino-4-(4-((3,4-dichlorobenzyl)oxy)phenyl)-2-methylbutan-1-ol

InChi Key: ZQQHXJCIFGMUPY-GOSISDBHSA-N

InChi Code: InChI=1S/C18H21Cl2NO2/c1-18(21,12-22)9-8-13-2-5-15(6-3-13)23-11-14-4-7-16(19)17(20)10-14/h2-7,10,22H,8-9,11-12,21H2,1H3/t18-/m1/s1

SMILES Code: OC[C@](C)(N)CCC1=CC=C(OCC2=CC=C(Cl)C(Cl)=C2)C=C1

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:
Biological target: P053 is a potent, non-competitive and selective ceramide synthase 1 (CerS1) inhibitor wirh an IC50 of 0.5 μM.
In vitro activity: In a live-cell ceramide synthase assay using cortical neuron cultures, a two hour pre-treatment with P053 resulted in dose-dependent inhibition of de novo C18:0 ceramide synthesis from deuterated dihydrosphingosine (Fig. 2a), confirming that the drug is cell permeable and inhibits CerS1 activity in living cells. Reference: Nat Commun. 2018 Aug 21;9(1):3165. https://pubmed.ncbi.nlm.nih.gov/30131496/
In vivo activity: As C18 is the dominant ceramide in SkM, P053 treatment reduced total ceramide content in this organ (Fig. 3f; P = 0.73 for effect of diet, P < 0.001 for effect of P053 by 2-way ANOVA). Very long chain ceramides (C22:0, C24:0 and C24:1) were significantly increased by P053 treatment in the HFD group (Fig. 3d, e), as was 42:2 SM, which is assumed to be the 18:1/24:1 (C24:1) form (Fig. 3g). Mean levels of 36:1 SM, which is derived from C18:0 ceramide, were 13% lower in P053-treated compared to vehicle-treated mice on both diets (Fig. 3g), however this effect was not statistically significant. Reference: Nat Commun. 2018 Aug 21;9(1):3165. https://pubmed.ncbi.nlm.nih.gov/30131496/

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMF 30.0 84.68
DMSO 65.0 183.48
Ethanol 30.0 84.68

Preparing Stock Solutions

The following data is based on the product molecular weight 354.27 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: Turner N, Lim XY, Toop HD, Osborne B, Brandon AE, Taylor EN, Fiveash CE, Govindaraju H, Teo JD, McEwen HP, Couttas TA, Butler SM, Das A, Kowalski GM, Bruce CR, Hoehn KL, Fath T, Schmitz-Peiffer C, Cooney GJ, Montgomery MK, Morris JC, Don AS. A selective inhibitor of ceramide synthase 1 reveals a novel role in fat metabolism. Nat Commun. 2018 Aug 21;9(1):3165. doi: 10.1038/s41467-018-05613-7. PMID: 30131496; PMCID: PMC6104039.
In vitro protocol: Turner N, Lim XY, Toop HD, Osborne B, Brandon AE, Taylor EN, Fiveash CE, Govindaraju H, Teo JD, McEwen HP, Couttas TA, Butler SM, Das A, Kowalski GM, Bruce CR, Hoehn KL, Fath T, Schmitz-Peiffer C, Cooney GJ, Montgomery MK, Morris JC, Don AS. A selective inhibitor of ceramide synthase 1 reveals a novel role in fat metabolism. Nat Commun. 2018 Aug 21;9(1):3165. doi: 10.1038/s41467-018-05613-7. PMID: 30131496; PMCID: PMC6104039.
In vivo protocol: Turner N, Lim XY, Toop HD, Osborne B, Brandon AE, Taylor EN, Fiveash CE, Govindaraju H, Teo JD, McEwen HP, Couttas TA, Butler SM, Das A, Kowalski GM, Bruce CR, Hoehn KL, Fath T, Schmitz-Peiffer C, Cooney GJ, Montgomery MK, Morris JC, Don AS. A selective inhibitor of ceramide synthase 1 reveals a novel role in fat metabolism. Nat Commun. 2018 Aug 21;9(1):3165. doi: 10.1038/s41467-018-05613-7. PMID: 30131496; PMCID: PMC6104039.

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1: Turner N, Lim XY, Toop HD, Osborne B, Brandon AE, Taylor EN, Fiveash CE, Govindaraju H, Teo JD, McEwen HP, Couttas TA, Butler SM, Das A, Kowalski GM, Bruce CR, Hoehn KL, Fath T, Schmitz-Peiffer C, Cooney GJ, Montgomery MK, Morris JC, Don AS. A selective inhibitor of ceramide synthase 1 reveals a novel role in fat metabolism. Nat Commun. 2018 Aug 21;9(1):3165. doi: 10.1038/s41467-018-05613-7. PMID: 30131496; PMCID: PMC6104039.