ML348
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Hodoodo CAT#: H406957

CAS#: 899713-86-1

Description: ML348, also known as CID 3238952; SID 160654487, is a reversible LYPLA1 inhibitor with an IC50 value of 210 nM. Multiple oncogenes, including HRAS and SRC, require palmitoylation for malignant transformation. Lysophospholipase 1 (LYPLA1) has been identified as a candidate protein palmitoyl thioesterase responsible for HRAS depalmitoylation in mammalian cells.

Chemical Structure

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ML348
CAS# 899713-86-1
Instruction

Theoretical Analysis

Hodoodo Cat#: H406957
Name: ML348
CAS#: 899713-86-1
Chemical Formula: C18H17ClF3N3O3
Exact Mass: 415.09
Molecular Weight: 415.797
Elemental Analysis: C, 52.00; H, 4.12; Cl, 8.53; F, 13.71; N, 10.11; O, 11.54

Price and Availability

Size Price Availability Quantity
5g USD -1 2 Weeks
100mg USD 650 2 Weeks
200mg USD 950 2 Weeks
500mg USD 1650 2 Weeks
1g USD 2750 2 Weeks
2g USD 4250 2 Weeks
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Synonym: ML348; ML-348; ML 348; CID 3238952; SID 160654487.

IUPAC/Chemical Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-furanylcarbonyl)-1-piperazineacetamide

InChi Key: OXKNHBBDOIMFFQ-UHFFFAOYSA-N

InChi Code: InChI=1S/C18H17ClF3N3O3/c19-13-4-3-12(18(20,21)22)10-14(13)23-16(26)11-24-5-7-25(8-6-24)17(27)15-2-1-9-28-15/h1-4,9-10H,5-8,11H2,(H,23,26)

SMILES Code: O=C(NC1=CC(C(F)(F)F)=CC=C1Cl)CN2CCN(C(C3=CC=CO3)=O)CC2

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 415.80 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: Won SJ, Davda D, Labby KJ, Hwang SY, Pricer R, Majmudar JD, Armacost KA, Rodriguez LA, Rodriguez CL, Chong FS, Torossian KA, Palakurthi J, Hur ES, Meagher JL, Brooks CL 3rd, Stuckey JA, Martin BR. Molecular Mechanism for Isoform-Selective Inhibition of Acyl Protein Thioesterases 1 and 2 (APT1 and APT2). ACS Chem Biol. 2016 Oct 31. [Epub ahead of print] PubMed PMID: 27748579.

2: Vujic I, Sanlorenzo M, Esteve-Puig R, Vujic M, Kwong A, Tsumura A, Murphy R, Moy A, Posch C, Monshi B, Rappersberger K, Ortiz-Urda S. Acyl protein thioesterase 1 and 2 (APT-1, APT-2) inhibitors palmostatin B, ML348 and ML349 have different effects on NRAS mutant melanoma cells. Oncotarget. 2016 Feb 9;7(6):7297-306. doi: 10.18632/oncotarget.6907. PubMed PMID: 26771141; PubMed Central PMCID: PMC4872786.

3: Hulce JJ, Joslyn C, Speers AE, Brown SJ, Spicer T, Fernandez-Vega V, Ferguson J, Cravatt BF, Hodder P, Rosen H. An in Vivo Active Carbamate-based Dual Inhibitor of Lysophospholipase 1 (LYPLA1) and Lysophospholipase 2 (LYPLA2). 2013 Dec 9 [updated 2014 Sep 18]. Probe Reports from the NIH Molecular Libraries Program [Internet]. Bethesda (MD): National Center for Biotechnology Information (US); 2010-. Available from http://www.ncbi.nlm.nih.gov/books/NBK259193/ PubMed PMID: 25506974.

4: Adibekian A, Martin BR, Chang JW, Hsu KL, Tsuboi K, Bachovchin DA, Speers AE, Brown SJ, Spicer T, Fernandez-Vega V, Ferguson J, Cravatt BF, Hodder P, Rosen H. Characterization of a Selective, Reversible Inhibitor of Lysophospholipase 2 (LYPLA2). 2013 Apr 8 [updated 2014 Sep 18]. Probe Reports from the NIH Molecular Libraries Program [Internet]. Bethesda (MD): National Center for Biotechnology Information (US); 2010-. Available from http://www.ncbi.nlm.nih.gov/books/NBK189927/ PubMed PMID: 24624468.

5: Adibekian A, Martin BR, Chang JW, Hsu KL, Tsuboi K, Bachovchin DA, Speers AE, Brown SJ, Spicer T, Fernandez-Vega V, Ferguson J, Cravatt BF, Hodder P, Rosen H. Characterization of a Selective, Reversible Inhibitor of Lysophospholipase 1 (LYPLA1). 2013 Apr 8 [updated 2014 Jan 13]. Probe Reports from the NIH Molecular Libraries Program [Internet]. Bethesda (MD): National Center for Biotechnology Information (US); 2010-. Available from http://www.ncbi.nlm.nih.gov/books/NBK189924/ PubMed PMID: 24624465.