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Merck
CN

SML2879

TCS OX2 29 HCl

≥98% (HPLC)

Synonym(s):

(2S)-1-(3,4-Dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)-3,3-dimethyl-2-[(4-pyridinylmethyl)amino]-1-butanone HCl, (2S)-2-(4-Pyridylmethylamino)-1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-3,3-dimethylbutan-1-one HCl, TCS OX 229, TCS OX2 29, TCS-OX2-29, TCS-OX229, TCS-orexin 2-29

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About This Item

Empirical Formula (Hill Notation):
C23H31N3O3 · xHCl
CAS Number:
372523-75-6
Molecular Weight:
397.51 (free base basis)
UNSPSC Code:
12352200
NACRES:
NA.77

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Quality Level

100

Assay

≥98% (HPLC)

form

powder

storage condition

desiccated

color

white to beige

solubility

H2O: ≥2.0 mg/mL, clear

storage temp.

−20°C

SMILES string

N2(CCc3c(cc(c(c3)OC)OC)C2)C(=O)[C@@H](NCc1ccncc1)C(C)(C)C

InChI

1S/C23H31N3O3/c1-23(2,3)21(25-14-16-6-9-24-10-7-16)22(27)26-11-8-17-12-19(28-4)20(29-5)13-18(17)15-26/h6-7,9-10,12-13,21,25H,8,11,14-15H2,1-5H3/t21-/m1/s1

InChI key

COFVZFLCAOUMJT-OAQYLSRUSA-N

Biochem/physiol Actions

A potent and selective orexin 2 receptor antagonist for studying Ox2R physiological functions both in cultures and in mice and rats in vivo.
TCS OX2 29 or TCS-OX2-29 is a potent and selective orexin 2 receptor (Ox2R, Ox2-R, Ox-2-R) antagonist (IC50 = 40 nM/Ox2R, >10 μM/Ox1R) with little potency toward 50 other receptors, ion channels, and transporters tested (<30% inhibition at 10 μM). TCS OX2 29 is widely used for elucidating various physiological functions mediated by Ox2R both in cultures and in mice and rats in vivo.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
0000123626
0000123623
0000107714

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Masaaki Hirose et al.
Bioorganic & medicinal chemistry letters, 13(24), 4497-4499 (2003-12-04)
The identification of potent and selective orexin-2 receptor (OX(2)R) antagonists is described based on the modification of N-acyl 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline analogue 1, recently discovered during high throughput screening (HTS). Substitution of an acyl group in 1 with tert-Leucine (tert-Leu), and introduction
Li-Wei Tung et al.
Nature communications, 7, 12199-12199 (2016-07-23)
Orexins are associated with drug relapse in rodents. Here, we show that acute restraint stress in mice activates lateral hypothalamic (LH) orexin neurons, increases levels of orexin A and 2-arachidonoylglycerol (2-AG) in the ventral tegmental area (VTA), and reinstates extinguished

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