ML095 HCl
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MedKoo CAT#: 555937

CAS#: 1135318-57-8 (HCl)

Description: ML095, also known as CID-25067483 and MLS-0315848, is a PLAP inhibitor (placental alkaline phosphatase inhibitor). The IC50 valuess of ML095 against PLAP, TNAP and IAP are 2.1, >100 and 53 μM, respectively.


Chemical Structure

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ML095 HCl
CAS# 1135318-57-8 (HCl)

Theoretical Analysis

MedKoo Cat#: 555937
Name: ML095 HCl
CAS#: 1135318-57-8 (HCl)
Chemical Formula: C13H15ClN2O3
Exact Mass:
Molecular Weight: 282.724
Elemental Analysis: C, 55.23; H, 5.35; Cl, 12.54; N, 9.91; O, 16.98

Price and Availability

Size Price Availability Quantity
50.0mg USD 250.0 2 Weeks
100.0mg USD 450.0 2 Weeks
200.0mg USD 750.0 2 Weeks
500.0mg USD 1550.0 2 Weeks
1.0g USD 2450.0 2 Weeks
2.0g USD 4450.0 2 Weeks
5.0g USD 6950.0 2 Weeks
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Related CAS #: 1135318-57-8 (HCl)    

Synonym: ML095 HCl; ML-095; ML 095; CID-25067483 hydrochloride; CID25067483; CID 25067483; MLS-0315848 hydrochloride; MLS 0315848; MLS0315848;

IUPAC/Chemical Name: 1-(3,4-Dihydroxyphenyl)-2-(2-ethyl-1H-imidazol-1-yl)-Ethanone hydrochloride

InChi Key: VTSPJLHFXSMCCC-UHFFFAOYSA-N

InChi Code: InChI=1S/C13H14N2O3.ClH/c1-2-13-14-5-6-15(13)8-12(18)9-3-4-10(16)11(17)7-9;/h3-7,16-17H,2,8H2,1H3;1H

SMILES Code: CCC1=NC=CN1CC(C2=CC=C(O)C(O)=C2)=O.[H]Cl

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: To be determined

Shelf Life: >2 years if stored properly

Drug Formulation: To be determined

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

Preparing Stock Solutions

The following data is based on the product molecular weight 282.724 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

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Lanier M, Cashman J, Sergienko E, Garcia X, Brown B, Rascon J, Narisawa S, Simao AM, Millán JL, Stonich D, Su Y, Dahl R, Chung TDY. Placental Alkaline Phosphatase (PLAP) Luminescent HTS assay - Probe 2. 2009 May 16 [updated 2010 Sep 2]. In: Probe Reports from the NIH Molecular Libraries Program [Internet]. Bethesda (MD): National Center for Biotechnology Information (US); 2010–. PMID: 21433367.



Additional Information

Placental alkaline phosphatase (PLAP) is highly expressed in primate placental tissue. Its biological function and relevance are still unknown, but PLAP-like enzymes are detected in serum of patients with primary testicular tumors, in particular seminoma and other cancers. Consequently, the identification of PLAP-specific inhibitors with selectivity over tissue non-specific alkaline phosphatase (TNAP) and intestinal alkaline phosphatase (IAP) may provide the necessary tools to characterize its biological role.