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MedKoo Cat#: 563773 | Name: ATC0065 HCl

Description:

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

ATC0065 dihydrochloride is a novel nonpeptidic and potent melanin-concentrating hormone receptor 1 (MCHR1) selective antagonist.

Chemical Structure

ATC0065 HCl
ATC0065 HCl
CAS#510732-84-0 (HCl)

Theoretical Analysis

MedKoo Cat#: 563773

Name: ATC0065 HCl

CAS#: 510732-84-0 (HCl)

Chemical Formula: C25H31BrCl2F3N5O

Exact Mass: 623.1041

Molecular Weight: 625.36

Elemental Analysis: C, 48.02; H, 5.00; Br, 12.78; Cl, 11.34; F, 9.11; N, 11.20; O, 2.56

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Related CAS #
509145-82-8 (free base) 510732-84-0 (HCl)
Synonym
ATC0065 dihydrochloride; ATC0065 2HCl; ATC-0065 dihydrochloride; ATC 0065 dihydrochloride
IUPAC/Chemical Name
N2-(cis-4-((4-Bromo-2-(trifluoromethoxy)phenethyl)amino)cyclohexyl)-N4,N4-dimethylquinazoline-2,4-diamine Dihydrochloride
InChi Key
BPGUWYBAINNZQH-LFOVFOEYSA-N
InChi Code
InChI=1S/C25H29BrF3N5O.2ClH/c1-34(2)23-20-5-3-4-6-21(20)32-24(33-23)31-19-11-9-18(10-12-19)30-14-13-16-7-8-17(26)15-22(16)35-25(27,28)29;;/h3-8,15,18-19,30H,9-14H2,1-2H3,(H,31,32,33);2*1H/t18-,19+;;
SMILES Code
CN(C)C1=C2C=CC=CC2=NC(N[C@H]3CC[C@@H](NCCC4=CC=C(Br)C=C4OC(F)(F)F)CC3)=N1.[H]Cl.[H]Cl
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
ATC0065 is reported to exhibit a 96-fold selectivity over MCH2 as well as displaying affinity for 5-HT1A and 5-HT2B receptors.

Preparing Stock Solutions

The following data is based on the product molecular weight 625.36 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: Chaki S, Funakoshi T, Hirota-Okuno S, Nishiguchi M, Shimazaki T, Iijima M, Grottick AJ, Kanuma K, Omodera K, Sekiguchi Y, Okuyama S, Tran TA, Semple G, Thomsen W. Anxiolytic- and antidepressant-like profile of ATC0065 and ATC0175: nonpeptidic and orally active melanin-concentrating hormone receptor 1 antagonists. J Pharmacol Exp Ther. 2005 May;313(2):831-9. Epub 2005 Jan 26. PubMed PMID: 15677346. 2: Kanuma K, Omodera K, Nishiguchi M, Funakoshi T, Chaki S, Nagase Y, Iida I, Yamaguchi J, Semple G, Tran TA, Sekiguchi Y. Identification of 4-amino-2-cyclohexylaminoquinazolines as metabolically stable melanin-concentrating hormone receptor 1 antagonists. Bioorg Med Chem. 2006 May 15;14(10):3307-19. Epub 2006 Jan 24. PubMed PMID: 16434202. 3: Mihalic JT, Fan P, Chen X, Chen X, Fu Y, Motani A, Liang L, Lindstrom M, Tang L, Chen JL, Jaen J, Dai K, Li L. Discovery of a novel melanin concentrating hormone receptor 1 (MCHR1) antagonist with reduced hERG inhibition. Bioorg Med Chem Lett. 2012 Jun 1;22(11):3781-5. doi: 10.1016/j.bmcl.2012.04.006. Epub 2012 Apr 7. PubMed PMID: 22542010. 4: Andersen D, Storz T, Liu P, Wang X, Li L, Fan P, Chen X, Allgeier A, Burgos A, Tedrow J, Baum J, Chen Y, Crockett R, Huang L, Syed R, Larsen RD, Martinelli M. Stereoselective synthesis of a MCHr1 antagonist. J Org Chem. 2007 Dec 7;72(25):9648-55. Epub 2007 Nov 13. PubMed PMID: 17997573. 5: David DJ, Klemenhagen KC, Holick KA, Saxe MD, Mendez I, Santarelli L, Craig DA, Zhong H, Swanson CJ, Hegde LG, Ping XI, Dong D, Marzabadi MR, Gerald CP, Hen R. Efficacy of the MCHR1 antagonist N-[3-(1-{[4-(3,4-difluorophenoxy)phenyl]methyl}(4-piperidyl))-4-methylphenyl]-2-m ethylpropanamide (SNAP 94847) in mouse models of anxiety and depression following acute and chronic administration is independent of hippocampal neurogenesis. J Pharmacol Exp Ther. 2007 Apr;321(1):237-48. Epub 2007 Jan 19. PubMed PMID: 17237257.

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