MedKoo Cat#: 563140 | Name: ACT-335827
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Description:

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

ACT-335827 is a potent and selective orexin OX1 receptor antagonist. Orexin contributes to the expression of the cardiovascular and behavioural response of some forms of stress, including novelty stress.

Chemical Structure

ACT-335827
ACT-335827
CAS#1354039-86-3

Theoretical Analysis

MedKoo Cat#: 563140

Name: ACT-335827

CAS#: 1354039-86-3

Chemical Formula: C31H38N2O5

Exact Mass: 518.2781

Molecular Weight: 518.65

Elemental Analysis: C, 71.79; H, 7.39; N, 5.40; O, 15.42

Price and Availability

Size Price Availability Quantity
10mg USD 750.00 2 Weeks
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Related CAS #
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Synonym
ACT-335827; ACT 335827; ACT335827;
IUPAC/Chemical Name
(R)-2-((S)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N-isopropyl-2-phenylacetamide
InChi Key
HXHOBPVRRPCTLG-SETSBSEESA-N
InChi Code
InChI=1S/C31H38N2O5/c1-20(2)32-31(34)30(22-10-8-7-9-11-22)33-15-14-23-18-28(37-5)29(38-6)19-24(23)25(33)16-21-12-13-26(35-3)27(17-21)36-4/h7-13,17-20,25,30H,14-16H2,1-6H3,(H,32,34)/t25-,30+/m0/s1
SMILES Code
COC1=CC=C(C[C@H]2C(C=C(OC)C(OC)=C3)=C3CCN2[C@H](C4=CC=CC=C4)C(NC(C)C)=O)C=C1OC
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
>3 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
2934.99.03.00
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 518.65 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
1: Beig MI, Dampney BW, Carrive P. Both Ox1r and Ox2r orexin receptors contribute to the cardiovascular and locomotor components of the novelty stress response in the rat. Neuropharmacology. 2015 Feb;89:146-56. doi: 10.1016/j.neuropharm.2014.09.012. Epub 2014 Sep 17. PubMed PMID: 25239810. 2: Merlo Pich E, Melotto S. Orexin 1 receptor antagonists in compulsive behavior and anxiety: possible therapeutic use. Front Neurosci. 2014 Feb 13;8:26. doi: 10.3389/fnins.2014.00026. eCollection 2014. Review. PubMed PMID: 24592206; PubMed Central PMCID: PMC3923148. 3: Steiner MA, Sciarretta C, Pasquali A, Jenck F. The selective orexin receptor 1 antagonist ACT-335827 in a rat model of diet-induced obesity associated with metabolic syndrome. Front Pharmacol. 2013 Dec 30;4:165. doi: 10.3389/fphar.2013.00165. eCollection 2013. PubMed PMID: 24416020; PubMed Central PMCID: PMC3874552. 4: Steiner MA, Gatfield J, Brisbare-Roch C, Dietrich H, Treiber A, Jenck F, Boss C. Discovery and characterization of ACT-335827, an orally available, brain penetrant orexin receptor type 1 selective antagonist. ChemMedChem. 2013 Jun;8(6):898-903. doi: 10.1002/cmdc.201300003. Epub 2013 Apr 15. PubMed PMID: 23589487.