MS-245

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

MedKoo CAT#: 530512

CAS#: 263384-65-2

Description: MS-245 is discontinued (DEA controlled substance). It is a tryptamine derivative which is used in scientific research. It acts as a selective 5-HT6 receptor antagonist with a Ki of 2.3 nM, and was derived through structure-activity relationship development of the selective 5-HT6 agonist EMDT. It has been used as a lead compound for further development of tryptamine-derived 5-HT6 antagonists. In animal studies it has been shown to boost the activity of, but not substitute for, both amphetamine and nicotine.


Chemical Structure

img
MS-245
CAS# 263384-65-2

Theoretical Analysis

MedKoo Cat#: 530512
Name: MS-245
CAS#: 263384-65-2
Chemical Formula: C19H22N2O3S
Exact Mass: 358.1351
Molecular Weight: 358.456
Elemental Analysis: C, 63.66; H, 6.19; N, 7.82; O, 13.39; S, 8.94

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

Request quote for custom synthesis

Synonym: MS-245; MS 245; MS245.

IUPAC/Chemical Name: N1-benzenesulfonyl-5-methoxy-N, N-dimethyltryptamine

InChi Key: AIJIQCBYMBZLJD-UHFFFAOYSA-N

InChi Code: InChI=1S/C19H22N2O3S/c1-20(2)12-11-15-14-21(19-10-9-16(24-3)13-18(15)19)25(22,23)17-7-5-4-6-8-17/h4-10,13-14H,11-12H2,1-3H3

SMILES Code: CN(C)CCC1=CN(S(=O)(C2=CC=CC=C2)=O)C3=CC=C(OC)C=C13

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

Preparing Stock Solutions

The following data is based on the product molecular weight 358.456 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

Molarity Calculator

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

=
÷

Dilution Calculator

Calculate the dilution required to prepare a stock solution.
x
=
x

1: Simon AA, Rowe JF, Gaulme P, Hammel HB, Casewell SL, Fortney JJ, Gizis JE, Lissauer JJ, Morales-Juberias R, Orton GS, Wong MH, Marley MS. NEPTUNE'S DYNAMIC ATMOSPHERE FROM KEPLER K2 OBSERVATIONS: IMPLICATIONS FOR BROWN DWARF LIGHT CURVE ANALYSES. Astrophys J. 2016 Feb 1;817(2). pii: 162. doi: 10.3847/0004-637X/817/2/162. PubMed PMID: 28127087; PubMed Central PMCID: PMC5257274.

2: Fortenberry RC, Lee TJ, Francisco JS. Quantum Chemical Analysis of the CO-HNN(+) Proton-Bound Complex. J Phys Chem A. 2016 Oct 6;120(39):7745-7752. PubMed PMID: 27643412.

3: Fortenberry RC, Moore MM, Lee TJ. Excited State Trends in Bidirectionally Expanded Closed-Shell PAH and PANH Anions. J Phys Chem A. 2016 Sep 22;120(37):7327-34. doi: 10.1021/acs.jpca.6b06654. PubMed PMID: 27585793.

4: Torres-Pérez JL, Guild LS, Armstrong RA, Corredor J, Zuluaga-Montero A, Polanco R. Relative Pigment Composition and Remote Sensing Reflectance of Caribbean Shallow-Water Corals. PLoS One. 2015 Nov 30;10(11):e0143709. doi: 10.1371/journal.pone.0143709. PubMed PMID: 26619210; PubMed Central PMCID: PMC4664284.

5: Boccaletti A, Thalmann C, Lagrange AM, Janson M, Augereau JC, Schneider G, Milli J, Grady C, Debes J, Langlois M, Mouillet D, Henning T, Dominik C, Maire AL, Beuzit JL, Carson J, Dohlen K, Engler N, Feldt M, Fusco T, Ginski C, Girard JH, Hines D, Kasper M, Mawet D, Ménard F, Meyer MR, Moutou C, Olofsson J, Rodigas T, Sauvage JF, Schlieder J, Schmid HM, Turatto M, Udry S, Vakili F, Vigan A, Wahhaj Z, Wisniewski J. Fast-moving features in the debris disk around AU Microscopii. Nature. 2015 Oct 8;526(7572):230-2. doi: 10.1038/nature15705. PubMed PMID: 26450055.

6: Macintosh B, Graham JR, Barman T, De Rosa RJ, Konopacky Q, Marley MS, Marois C, Nielsen EL, Pueyo L, Rajan A, Rameau J, Saumon D, Wang JJ, Patience J, Ammons M, Arriaga P, Artigau E, Beckwith S, Brewster J, Bruzzone S, Bulger J, Burningham B, Burrows AS, Chen C, Chiang E, Chilcote JK, Dawson RI, Dong R, Doyon R, Draper ZH, Duchêne G, Esposito TM, Fabrycky D, Fitzgerald MP, Follette KB, Fortney JJ, Gerard B, Goodsell S, Greenbaum AZ, Hibon P, Hinkley S, Cotten TH, Hung LW, Ingraham P, Johnson-Groh M, Kalas P, Lafreniere D, Larkin JE, Lee J, Line M, Long D, Maire J, Marchis F, Matthews BC, Max CE, Metchev S, Millar-Blanchaer MA, Mittal T, Morley CV, Morzinski KM, Murray-Clay R, Oppenheimer R, Palmer DW, Patel R, Perrin MD, Poyneer LA, Rafikov RR, Rantakyrö FT, Rice EL, Rojo P, Rudy AR, Ruffio JB, Ruiz MT, Sadakuni N, Saddlemyer L, Salama M, Savransky D, Schneider AC, Sivaramakrishnan A, Song I, Soummer R, Thomas S, Vasisht G, Wallace JK, Ward-Duong K, Wiktorowicz SJ, Wolff SG, Zuckerman B. Discovery and spectroscopy of the young jovian planet 51 Eri b with the Gemini Planet Imager. Science. 2015 Oct 2;350(6256):64-7. doi: 10.1126/science.aac5891. PubMed PMID: 26272904.

7: Bera PP, Peverati R, Head-Gordon M, Lee TJ. Hydrocarbon growth via ion-molecule reactions: computational studies of the isomers of C₄H2₂⁺, C₆H₂⁺ and C₆H₄⁺ and their formation paths from acetylene and its fragments. Phys Chem Chem Phys. 2015 Jan 21;17(3):1859-69. doi: 10.1039/c4cp04480k. PubMed PMID: 25474483.

8: Huang X, Schwenke DW, Lee TJ. Highly accurate potential energy surface, dipole moment surface, rovibrational energy levels, and infrared line list for ³²S¹⁶O₂ up to 8000 cm⁻¹. J Chem Phys. 2014 Mar 21;140(11):114311. doi: 10.1063/1.4868327. PubMed PMID: 24655184.

9: Sandford SA, Bera PP, Lee TJ, Materese CK, Nuevo M. Photosynthesis and photo-stability of nucleic acids in prebiotic extraterrestrial environments. Top Curr Chem. 2015;356:123-64. doi: 10.1007/128_2013_499. Review. PubMed PMID: 24500331.

10: Wang X, Huang X, Bowman JM, Lee TJ. Anharmonic rovibrational calculations of singlet cyclic C4 using a new ab initio potential and a quartic force field. J Chem Phys. 2013 Dec 14;139(22):224302. doi: 10.1063/1.4837177. PubMed PMID: 24329063.

11: Bera PP, Head-Gordon M, Lee TJ. Relative energies, structures, vibrational frequencies, and electronic spectra of pyrylium cation, an oxygen-containing carbocyclic ring isoelectronic with benzene, and its isomers. J Chem Phys. 2013 Nov 7;139(17):174302. doi: 10.1063/1.4826138. PubMed PMID: 24206293.

12: Bera PP, Head-Gordon M, Lee TJ. Association mechanisms of unsaturated C2 hydrocarbons with their cations: acetylene and ethylene. Phys Chem Chem Phys. 2013 Feb 14;15(6):2012-23. doi: 10.1039/c2cp43740f. PubMed PMID: 23258256.

13: Loh CC, Raabe G, Enders D. Enantioselective synthesis of tetrahydrocarbazoles through a Michael addition/Ciamician-Plancher rearrangement sequence: asymmetric synthesis of a potent constrained analogue of MS-245. Chemistry. 2012 Oct 15;18(42):13250-4. doi: 10.1002/chem.201202908. PubMed PMID: 22976923.

14: Goldblatt C, Zahnle KJ. Faint young Sun paradox remains. Nature. 2011 Jun 2;474(7349):E3-4; discussion E4-5. doi: 10.1038/nature09961. PubMed PMID: 21637210.

15: Zhang X, Andren PE, Glennon RA, Svenningsson P. Distribution, level, pharmacology, regulation, and signaling of 5-HT6 receptors in rats and marmosets with special reference to an experimental model of parkinsonism. J Comp Neurol. 2011 Jun 15;519(9):1816-27. doi: 10.1002/cne.22605. PubMed PMID: 21452237.

16: Zahnle K, Schaefer L, Fegley B. Earth's earliest atmospheres. Cold Spring Harb Perspect Biol. 2010 Oct;2(10):a004895. doi: 10.1101/cshperspect.a004895. Review. PubMed PMID: 20573713; PubMed Central PMCID: PMC2944365.

17: Glennon RA, Siripurapu U, Roth BL, Kolanos R, Bondarev ML, Sikazwe D, Lee M, Dukat M. The medicinal chemistry of 5-HT6 receptor ligands with a focus on arylsulfonyltryptamine analogs. Curr Top Med Chem. 2010;10(5):579-95. Review. PubMed PMID: 20166945.

18: Erickson EF, Rabanus D. Beam shape effects on grating spectrometer resolution. Appl Opt. 2000 Sep 1;39(25):4486-9. PubMed PMID: 18350035.

19: Dukat M, Mosier PD, Kolanos R, Roth BL, Glennon RA. Binding of serotonin and N1-benzenesulfonyltryptamine-related analogs at human 5-HT6 serotonin receptors: receptor modeling studies. J Med Chem. 2008 Feb 14;51(3):603-11. doi: 10.1021/jm070910s. PubMed PMID: 18201064.

20: Hogan RC, Cuzzi JN. Cascade model for particle concentration and enstrophy in fully developed turbulence with mass-loading feedback. Phys Rev E Stat Nonlin Soft Matter Phys. 2007 May;75(5 Pt 2):056305. PubMed PMID: 17677162.