ML-191 | CAS#931695-79-3 | GPR55 antagonist

MedKoo Cat#: 555950 | Name: ML191

Description:

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

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

Theoretical Analysis

MedKoo Cat#: 555950

Name: ML191

CAS#: 931695-79-3

Chemical Formula: C24H25N3O3

Exact Mass: 403.1896

Molecular Weight: 403.48

Elemental Analysis: C, 71.44; H, 6.25; N, 10.41; O, 11.90

Price and Availability

Size	Price	Availability
5mg	USD 90.00	Ready to ship
10mg	USD 150.00	Ready to ship
25mg	USD 250.00	Ready to ship
50mg	USD 450.00	Ready to ship
100mg	USD 750.00	Ready to ship
200mg	USD 1,350.00	Ready to ship

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Related CAS #

No Data

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

	Solvent	mg/mL	mM	comments
Solubility
	DMSO	5.0	12.40

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

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

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.