ML-191 | CAS#931695-79-3

ML191
new

featured

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

MedKoo CAT#: 555950

CAS#: 931695-79-3

Description: ML-191, also known as CCG-152883 and CID-23612552, is an antagonist of GPR55 (LPI; EC50 = 1.076 µM in U2OS cells overexpressing GPR55).

Chemical Structure

ML191

CAS# 931695-79-3

Product data Instruction

Theoretical Analysis

MedKoo Cat#: 555950
Name: ML191
CAS#: 931695-79-3
Chemical Formula: C24H25N3O3
Exact Mass: 403.19
Molecular Weight: 403.482
Elemental Analysis: C, 71.44; H, 6.25; N, 10.41; O, 11.90

Price and Availability

Size	Price	Availability
5mg	USD 90	Ready to ship
10mg	USD 150	Ready to ship
25mg	USD 250	Ready to ship
50mg	USD 450	Ready to ship
100mg	USD 750	Ready to ship
200mg	USD 1350	Ready to ship
Bulk inquiry Welcome, Customer: Please do not inquire quote if your intended use is for a patient since our products are for research use and for chemical synthesis use, not for human use . For in-stock products, we listed price in the web page. You may inquire prices for which sizes were not listed. If no price is listed, this means the product is not in stock at the moment, which may be available via custom synthesis. For cost-effective reason, minimum order of 1g is requested (typically very expensive). The lead time is usually 2-4 months. Quote of less than 1g will not be provided. MedKoo may not offer quote for below reasons: (1) current available synthetic method appears to be extremely expensive which is obviously not affordable to most customers; (2) Key raw material to make the product is temporally not available; (3) DEA controlled substances; (4) the product is under patent protection in customer’s country.

Synonym: ML-191; ML 191; ML191; CCG-152883; CCG 152883; CCG152883; CID-23612552; CID 23612552; CID23612552;

IUPAC/Chemical Name: 5-phenyl-3-(1-(1-(p-tolyl)cyclopropane-1-carbonyl)piperidin-4-yl)-1,3,4-oxadiazol-2(3H)-one

InChi Key: WWJKJCDOYFKZBJ-UHFFFAOYSA-N

InChi Code: InChI=1S/C24H25N3O3/c1-17-7-9-19(10-8-17)24(13-14-24)22(28)26-15-11-20(12-16-26)27-23(29)30-21(25-27)18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3

SMILES Code: O=C1OC(C2=CC=CC=C2)=NN1C3CCN(C(C4(C5=CC=C(C)C=C5)CC4)=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: 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

More Info:

Product Data:

Product Data

Certificate of Analysis:

View CoA: current batch, Lot# T21D04P07

QC Data:

View QC data: current batch, Lot# T21D04P07

Safety Data Sheet (SDS):

View Safety Data Sheet (SDS)

Instruction:

View handling instruction

Biological target:	ML-191 is an antagonist of GPR55.
In vitro activity:	TBD
In vivo activity:	TBD

Solubility Data

	Solvent	Max Conc. mg/mL	Max Conc. mM
Solubility
	DMSO	5.0	12.40

Preparing Stock Solutions

The following data is based on the product molecular weight 403.48 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:	TBD
In vitro protocol:	TBD
In vivo protocol:	TBD

Molarity Calculator

Calculate the mass, volume, or concentration required for a solution.

Mass

Concentration

Volume

M. Wt* g/mol

*When preparing stock solutions always use the batch-specific molecular weight of the product found on the vial label and SDS / CoA (available online).

Reconstitution Calculator

The reconstitution calculator allows you to quickly calculate the volume of a reagent to reconstitute your vial. Simply enter the mass of reagent and the target concentration and the calculator will determine the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration

Dilution Calculator

Calculate the dilution required to prepare a stock solution.

Concentration 1

Volume 1

Concentration 2

Volume 2

1: Brown AJ, Castellano-Pellicena I, Haslam CP, Nichols PL, Dowell SJ. Structure-Activity Relationship of the GPR55 Antagonist, CID16020046. Pharmacology. 2018;102(5-6):324-331. doi: 10.1159/000493490. Epub 2018 Oct 8. PMID: 30296786.

2: Kotsikorou E, Sharir H, Shore DM, Hurst DP, Lynch DL, Madrigal KE, Heynen- Genel S, Milan LB, Chung TD, Seltzman HH, Bai Y, Caron MG, Barak LS, Croatt MP, Abood ME, Reggio PH. Identification of the GPR55 antagonist binding site using a novel set of high-potency GPR55 selective ligands. Biochemistry. 2013 Dec 31;52(52):9456-69. doi: 10.1021/bi4008885. Epub 2013 Dec 17. PMID: 24274581; PMCID: PMC3970910.

3: Heynen-Genel S, Dahl R, Shi S, Milan L, Hariharan S, Sergienko E, Hedrick M, Dad S, Stonich D, Su Y, Vicchiarelli M, Mangravita-Novo A, Smith LH, Chung TDY, Sharir H, Caron MG, Barak LS, Abood ME. Screening for Selective Ligands for GPR55 - Antagonists. 2010 Oct 30 [updated 2011 May 26]. In: Probe Reports from the NIH Molecular Libraries Program [Internet]. Bethesda (MD): National Center for Biotechnology Information (US); 2010–. PMID: 22091481.

4: Cho YS, Lim C, Han MJ, Chun EJ, Choi SI, Park KH, Chae IH, Choi DJ. Should we consider the ethnic difference in selecting size of intraaortic balloon by commercial guideline? ASAIO J. 2009 Sep-Oct;55(5):519-22. doi: 10.1097/MAT.0b013e3181ac6a35. PMID: 19730009.

Your view history

ML191 new featured