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MedKoo Cat#: 565716 | Name: ASP3662

Description:

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

ASP3662, also known as SPI-62, is a potent, selective and CNS-penetrable inhibitor of 11β-HSD1. The effects of ASP3662 suggest that selective inhibition of 11β-HSD1 may be an attractive approach for the treatment of neuropathic and dysfunctional pain, as observed in fibromyalgia. ASP3662 inhibited human, mouse and rat 11β-HSD1 but not human 11β-HSD2, in vitro. ASP3662 inhibited in vitro conversion of glucocorticoid from its inactive to active form in extracts of rat brain and spinal cord.

Chemical Structure

ASP3662
ASP3662
CAS#1204178-50-6 (free base)

Theoretical Analysis

MedKoo Cat#: 565716

Name: ASP3662

CAS#: 1204178-50-6 (free base)

Chemical Formula: C19H16ClF3N4O2

Exact Mass: 424.0914

Molecular Weight: 424.81

Elemental Analysis: C, 53.72; H, 3.80; Cl, 8.34; F, 13.42; N, 13.19; O, 7.53

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 #
1203941-88-1 (HCl) 1204178-50-6 (free base)
Synonym
ASP3662; ASP 3662; ASP-3662; SPI62; SPI-62; SPI 62; clofutriben
IUPAC/Chemical Name
4-{5-[2-(4-Chloro-2,6-difluorophenoxy)propan-2-yl]-4-methyl-4H-1,2,4-triazol-3-yl}-3-fluorobenzamide
InChi Key
CMQOKZCYVZFZLZ-UHFFFAOYSA-N
InChi Code
InChI=1S/C19H16ClF3N4O2/c1-19(2,29-15-13(22)7-10(20)8-14(15)23)18-26-25-17(27(18)3)11-5-4-9(16(24)28)6-12(11)21/h4-8H,1-3H3,(H2,24,28)
SMILES Code
O=C(N)C1=CC=C(C2=NN=C(C(C)(OC3=C(F)C=C(Cl)C=C3F)C)N2C)C(F)=C1
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
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 424.81 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: Kiso T, Sekizawa T, Uchino H, Tsukamoto M, Kakimoto S. Analgesic effects of ASP3662, a novel 11β-hydroxysteroid dehydrogenase 1 inhibitor, in rat models of neuropathic and dysfunctional pain. Br J Pharmacol. 2018 Oct;175(19):3784-3796. doi: 10.1111/bph.14448. Epub 2018 Aug 17. PubMed PMID: 30006998; PubMed Central PMCID: PMC6135787. 2: Bellaire S, Walzer M, Wang T, Krauwinkel W, Yuan N, Marek GJ. Safety, Pharmacokinetics, and Pharmacodynamics of ASP3662, a Novel 11β-Hydroxysteroid Dehydrogenase Type 1 Inhibitor, in Healthy Young and Elderly Subjects. Clin Transl Sci. 2019 May;12(3):291-301. doi: 10.1111/cts.12618. Epub 2019 Feb 27. PubMed PMID: 30740895; PubMed Central PMCID: PMC6510378. 3: Baum E, Zhang W, Li S, Cai Z, Holden D, Huang Y. A Novel (18)F-Labeled Radioligand for Positron Emission Tomography Imaging of 11β-Hydroxysteroid Dehydrogenase (11β-HSD1): Synthesis and Preliminary Evaluation in Nonhuman Primates. ACS Chem Neurosci. 2019 May 15;10(5):2450-2458. doi: 10.1021/acschemneuro.8b00715. Epub 2019 Feb 19. PubMed PMID: 30689943. 4: Gallezot JD, Nabulsi NB, Henry S, Pracitto R, Planeta B, Ropchan J, Lin SF, Labaree D, Kapinos M, Shirali A, Lara-Jaime T, Gao H, Matuskey D, Walzer M, Marek G, Bellaire S, Yuan N, Carson RE, Huang Y. IMAGING THE ENZYME 11β-HYDROXYSTEROID DEHYDROGENASE TYPE 1 WITH POSITRON EMISSION TOMOGRAPHY: EVALUATION OF THE NOVEL RADIOTRACER (11)C-AS2471907 IN HUMAN BRAIN. J Nucl Med. 2019 Mar 15. pii: jnumed.118.219766. doi: 10.2967/jnumed.118.219766. [Epub ahead of print] PubMed PMID: 30877174.