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MedKoo Cat#: 319913 | Name: Pexacerfont

Description:

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

Pexacerfont, also known as BMS-562086, is a potent and orally active CRF-1 antagonist. Pexacerfont is a recently developed CRF-1 antagonist which is currently in clinical trials for the treatment of anxiety disorders, and has also been proposed to be useful for the treatment of depression and irritable bowel syndrome. BMS-562086 exhibited favorable ADME and pharmacokinetic properties for further development.

Chemical Structure

Pexacerfont
CAS#459856-18-9

Theoretical Analysis

MedKoo Cat#: 319913

Name: Pexacerfont

CAS#: 459856-18-9

Chemical Formula: C18H24N6O

Exact Mass: 340.2012

Molecular Weight: 340.43

Elemental Analysis: C, 63.51; H, 7.11; N, 24.69; O, 4.70

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
BMS-562086; BMS 562086; BMS562086; BMS-562,086; BMS562,086; BMS 562,086; Pexacerfont.
IUPAC/Chemical Name
8-(6-Methoxy-2-methylpyridin-3-yl)-2,7-dimethyl-N-((1R)-1-methylpropyl)pyrazolo(1,5-a)-1,3,5-triazin-4-amine
InChi Key
LBWQSAZEYIZZCE-SNVBAGLBSA-N
InChi Code
InChI=1S/C18H24N6O/c1-7-10(2)19-18-22-13(5)21-17-16(12(4)23-24(17)18)14-8-9-15(25-6)20-11(14)3/h8-10H,7H2,1-6H3,(H,19,21,22)/t10-/m1/s1
SMILES Code
CC[C@H](NC1=NC(C)=NC2=C(C3=CC=C(OC)N=C3C)C(C)=NN21)C
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
Corticotropin releasing factor (CRF), also known as Corticotropin releasing hormone, is an endogenous peptide hormone which is released in response to various triggers such as chronic stress. This then triggers the release of corticotropin (ACTH), another hormone which is involved in the physiological response to stress. Chronic release of CRF and ACTH is believed to be directly or indirectly involved in many of the harmful physiological effects of chronic stress, such as excessive glucocorticoid release, diabetes mellitus, osteoporosis, stomach ulcers, anxiety, depression, and development of high blood pressure and consequent cardiovascular problems.

Preparing Stock Solutions

The following data is based on the product molecular weight 340.43 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: Kwako LE, Spagnolo PA, Schwandt ML, Thorsell A, George DT, Momenan R, Rio DE, Huestis M, Anizan S, Concheiro M, Sinha R, Heilig M. The corticotropin releasing hormone-1 (CRH1) receptor antagonist pexacerfont in alcohol dependence: a randomized controlled experimental medicine study. Neuropsychopharmacology. 2015 Mar 13;40(5):1053-63. doi: 10.1038/npp.2014.306. PubMed PMID: 25409596; PubMed Central PMCID: PMC4367465. 2: Zheng N, Buzescu A, Pasas-Farmer S, Arnold ME, Ouyang Z, Jemal M, Peng Q, Van Vleet T, Zeng J. A simplified and completely automated workflow for regulated LC-MS/MS bioanalysis using cap-piercing direct sampling and evaporation-free solid phase extraction. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Mar 15;921-922:64-74. doi: 10.1016/j.jchromb.2013.01.028. Epub 2013 Feb 4. PubMed PMID: 23435343. 3: Mozaffari S, Nikfar S, Abdollahi M. Metabolic and toxicological considerations for the latest drugs used to treat irritable bowel syndrome. Expert Opin Drug Metab Toxicol. 2013 Apr;9(4):403-21. doi: 10.1517/17425255.2013.759558. Epub 2013 Jan 19. Review. PubMed PMID: 23330973. 4: Zorrilla EP, Heilig M, de Wit H, Shaham Y. Behavioral, biological, and chemical perspectives on targeting CRF(1) receptor antagonists to treat alcoholism. Drug Alcohol Depend. 2013 Mar 1;128(3):175-86. doi: 10.1016/j.drugalcdep.2012.12.017. Epub 2013 Jan 5. Review. PubMed PMID: 23294766; PubMed Central PMCID: PMC3596012. 5: Badawy SI, Narang AS, LaMarche K, Subramanian G, Varia SA. Mechanistic basis for the effects of process parameters on quality attributes in high shear wet granulation. Int J Pharm. 2012 Dec 15;439(1-2):324-33. doi: 10.1016/j.ijpharm.2012.09.011. Epub 2012 Sep 12. PubMed PMID: 22981985. 6: Zhou L, Dockens RC, Liu-Kreyche P, Grossman SJ, Iyer RA. In vitro and in vivo metabolism and pharmacokinetics of BMS-562086, a potent and orally bioavailable corticotropin-releasing factor-1 receptor antagonist. Drug Metab Dispos. 2012 Jun;40(6):1093-103. doi: 10.1124/dmd.111.043596. Epub 2012 Mar 1. PubMed PMID: 22381334. 7: Coric V, Feldman HH, Oren DA, Shekhar A, Pultz J, Dockens RC, Wu X, Gentile KA, Huang SP, Emison E, Delmonte T, D'Souza BB, Zimbroff DL, Grebb JA, Goddard AW, Stock EG. Multicenter, randomized, double-blind, active comparator and placebo-controlled trial of a corticotropin-releasing factor receptor-1 antagonist in generalized anxiety disorder. Depress Anxiety. 2010 May;27(5):417-25. doi: 10.1002/da.20695. PubMed PMID: 20455246. 8: Sweetser S, Camilleri M, Linker Nord SJ, Burton DD, Castenada L, Croop R, Tong G, Dockens R, Zinsmeister AR. Do corticotropin releasing factor-1 receptors influence colonic transit and bowel function in women with irritable bowel syndrome? Am J Physiol Gastrointest Liver Physiol. 2009 Jun;296(6):G1299-306. doi: 10.1152/ajpgi.00011.2009. Epub 2009 Apr 2. PubMed PMID: 19342506; PubMed Central PMCID: PMC2697942.