WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H532190
CAS#: 1222878-02-5
Description: ML169 is a novel, selective and brain penetrant M1 positive allosteric modulator (PAM).
Hodoodo Cat#: H532190
Name: ML169
CAS#: 1222878-02-5
Chemical Formula: C21H17BrFN3O4S
Exact Mass: 505.01
Molecular Weight: 506.346
Elemental Analysis: C, 49.81; H, 3.38; Br, 15.78; F, 3.75; N, 8.30; O, 12.64; S, 6.33
Synonym: ML169; ML 169; ML-169.
IUPAC/Chemical Name: 2-{1-[(5-bromo-2-fluorophenyl)methyl]-1H-indole-3-sulfonyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide
InChi Key: RUYRNYRGPSAXTK-UHFFFAOYSA-N
InChi Code: InChI=1S/C21H17BrFN3O4S/c1-13-8-20(25-30-13)24-21(27)12-31(28,29)19-11-26(18-5-3-2-4-16(18)19)10-14-9-15(22)6-7-17(14)23/h2-9,11H,10,12H2,1H3,(H,24,25,27)
SMILES Code: O=C(NC1=NOC(C)=C1)CS(=O)(C2=CN(CC3=CC(Br)=CC=C3F)C4=C2C=CC=C4)=O
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
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:
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The following data is based on the product molecular weight 506.35 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: | |
| In vitro protocol: | |
| In vivo protocol: |
1: Liu ZB, Wen JJ, Xu CG. [Effects of 13-cis-retinoic acid combined with interferon-α2b in mantle cell lymphoma cell lines (Jeko-1) in vitro]. Zhonghua Xue Ye Xue Za Zhi. 2017 Jan 14;38(1):50-54. doi: 10.3760/cma.j.issn.0253-2727.2017.01.011. Chinese. PubMed PMID: 28219226.
2: Tarr JC, Turlington ML, Reid PR, Utley TJ, Sheffler DJ, Cho HP, Klar R, Pancani T, Klein MT, Bridges TM, Morrison RD, Blobaum AL, Xiang Z, Daniels JS, Niswender CM, Conn PJ, Wood MR, Lindsley CW. Targeting selective activation of M(1) for the treatment of Alzheimer's disease: further chemical optimization and pharmacological characterization of the M(1) positive allosteric modulator ML169. ACS Chem Neurosci. 2012 Nov 21;3(11):884-95. doi: 10.1021/cn300068s. PubMed PMID: 23173069; PubMed Central PMCID: PMC3503349.
3: Bridges TM, Reid PR, Lewis LM, Dawson ES, Weaver CD, Wood MR, Lindsley CW. Discovery and development of a second highly selective M(1) Positive Allosteric Modulator (PAM). 2010 Mar 31 [updated 2010 Oct 29]. 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/NBK50704/ PubMed PMID: 21433394.
4: Reid PR, Bridges TM, Sheffler DJ, Cho HP, Lewis LM, Days E, Daniels JS, Jones CK, Niswender CM, Weaver CD, Conn PJ, Lindsley CW, Wood MR. Discovery and optimization of a novel, selective and brain penetrant M1 positive allosteric modulator (PAM): the development of ML169, an MLPCN probe. Bioorg Med Chem Lett. 2011 May 1;21(9):2697-701. doi: 10.1016/j.bmcl.2010.12.015. PubMed PMID: 21194936; PubMed Central PMCID: PMC3082000.
