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MedKoo Cat#: 522625 | Name: ML192
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Description:

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

ML192, also known as MLS000526305 and CID1434953, is a selective ligands for GPR55. The orphan G protein coupled receptor, ML192 (CID1434953) with 1080 nM potency for GPR55 and >45-fold antagonist and agonist selectivity against GPR35, CB1 and CB2. GPR55 has gained notoriety because of its putative identification as a cannabinoid receptor subtype. The significance of this assignment should not be underestimated given the importance of cannabinoids to drug abuse and the potential utility of cannabinoid ligands in treating behavioral disorders leading to conditions such as obesity.

Chemical Structure

ML192
ML192
CAS#460331-61-7

Theoretical Analysis

MedKoo Cat#: 522625

Name: ML192

CAS#: 460331-61-7

Chemical Formula: C20H22N4O2S

Exact Mass: 382.1463

Molecular Weight: 382.48

Elemental Analysis: C, 62.81; H, 5.80; N, 14.65; O, 8.37; S, 8.38

Price and Availability

Size Price Availability Quantity
25mg USD 450.00 2 Weeks
50mg USD 750.00 2 Weeks
100mg USD 1,250.00 2 Weeks
200mg USD 2,150.00 2 Weeks
500mg USD 3,650.00 2 Weeks
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Related CAS #
460331-61-7
Synonym
ML192; ML 192; ML-192; CID1434953; CID-1434953; CID 1434953; MLS000526305.
IUPAC/Chemical Name
furan-2-yl(4-(2-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl)methanone
InChi Key
GDPDARVUXXOYAJ-UHFFFAOYSA-N
InChi Code
InChI=1S/C20H22N4O2S/c1-13-21-18(17-14-5-2-3-7-16(14)27-19(17)22-13)23-8-10-24(11-9-23)20(25)15-6-4-12-26-15/h4,6,12H,2-3,5,7-11H2,1H3
SMILES Code
CC1=NC(N2CCN(CC2)C(=O)C3=CC=CO3)=C4C(SC5=C4CCCC5)=N1
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, not in water
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
Product Data
Product Data
Instruction
View handling instruction
Biological target:
ML192 is a selective ligand antagonist of GPR55.
In vitro activity:
This screen yielded novel, GPR55 antagonist chemotypes with IC50 values in the range of 0.16-2.72 μM [Heynen-Genel, S., et al. (2010) Screening for Selective Ligands for GPR55: Antagonists (ML191, ML192, ML193) (Bookshelf ID NBK66153; PMID entry 22091481)]. Importantly, many of the GPR55 antagonists were completely selective, with no agonism or antagonism against GPR35, CB1, or CB2 up to 20 μM. Reference: Biochemistry. 2013 Dec 31;52(52):9456-69. https://pubmed.ncbi.nlm.nih.gov/24274581/
In vivo activity:
TBD
Solvent mg/mL mM comments
Solubility
DMSO 5.0 13.07
Ethanol 15.0 39.22
Ethanol:PBS (pH 7.2) (1:2) 0.3 0.78
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 382.48 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
Formulation protocol:
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.
In vitro protocol:
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.
In vivo protocol:
TBD
1: 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. PubMed PMID: 24274581; PubMed Central PMCID: PMC3970910. 2: 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]. 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/NBK66153/ PubMed PMID: 22091481.