MedKoo Cat#: 407466 | Name: ML395

Description:

WARNING: This product is for research use only, not for human or veterinary use.

ML395, also known as VU0468809, is a potent PLD2 inhibitor. ML39 showed potent antiviral activity. ML395 (VU0468809), a potent, >80-fold PLD2 selective allosteric inhibitor (cellular PLD1, IC50 >30,000 nM; cellular PLD2, IC50 =360 nM). Moreover, ML395 possesses an attractive in vitro DMPK profile, improved physiochemical properties, ancillary pharmacology (Eurofins Panel) cleaner than any other reported PLD inhibitor, and has been found to possess interesting activity as an antiviral agent in cellular assays against a range of influenza strains (H1, H3, H5 and H7).

Chemical Structure

ML395
ML395
CAS#1638957-17-1

Theoretical Analysis

MedKoo Cat#: 407466

Name: ML395

CAS#: 1638957-17-1

Chemical Formula: C26H29N5O2

Exact Mass: 443.2321

Molecular Weight: 443.55

Elemental Analysis: C, 70.41; H, 6.59; N, 15.79; O, 7.21

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Synonym
ML395; ML-395; ML 395; VU0468809; VU-0468809; VU 0468809.
IUPAC/Chemical Name
N-(2-(4-oxo-1-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl)-2-naphthamide
InChi Key
VBJYNYMKFQGJCH-UHFFFAOYSA-N
InChi Code
InChI=1S/C26H29N5O2/c32-24(23-8-7-21-5-1-2-6-22(21)16-23)28-12-15-30-13-9-26(10-14-30)25(33)29-19-31(26)18-20-4-3-11-27-17-20/h1-8,11,16-17H,9-10,12-15,18-19H2,(H,28,32)(H,29,33)
SMILES Code
O=C(NCN1CC2=CC=CN=C2)C31CCN(CCNC(C4=CC(C=CC=C5)=C5C=C4)=O)CC3
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

Preparing Stock Solutions

The following data is based on the product molecular weight 443.55 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
1: O'Reilly MC, Scott SA, Daniels JS, Morrison R, Engers JL, Oguin T, Thomas P, Brown HA, Lindsley CW. A Next generation PLD2 inhibitor with improved physiochemical properties and DMPK profile for translational in vivo. 2014 Apr 15 [updated 2015 Jan 16]. 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/NBK280050/ PubMed PMID: 25834904. 2: O'Reilly MC, Oguin TH 3rd, Scott SA, Thomas PG, Locuson CW, Morrison RD, Daniels JS, Brown HA, Lindsley CW. Discovery of a highly selective PLD2 inhibitor (ML395): a new probe with improved physiochemical properties and broad-spectrum antiviral activity against influenza strains. ChemMedChem. 2014 Dec;9(12):2633-7. doi: 10.1002/cmdc.201402333. Epub 2014 Sep 10. PubMed PMID: 25210004; PubMed Central PMCID: PMC4535312.