ML191
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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

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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 Quantity
5.0mg USD 80.0 Ready to ship
10.0mg USD 150.0 Ready to ship
25.0mg USD 250.0 Ready to ship
50.0mg USD 450.0 Ready to ship
100.0mg USD 750.0 Ready to ship
200.0mg USD 1350.0 Ready to ship
500.0mg USD 2450.0 Ready to ship
1.0g USD 3650.0 2 Weeks
2.0g USD 5950.0 2 Weeks
10.0mM * 1 mL DMSO USD 190.0 Ready to ship
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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

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 5.0 12.4

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.

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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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.

ML191

5.0mg / USD 80.0