WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H558194
CAS#: 107736-98-1
Description: Umespirone is a potential antipsychotic/anxiolytic drug of the azapirone class which possesses anxiolytic and antipsychotic properties.
Hodoodo Cat#: H558194
Name: Umespirone
CAS#: 107736-98-1
Chemical Formula: C28H40N4O5
Exact Mass: 512.30
Molecular Weight: 512.650
Elemental Analysis: C, 65.60; H, 7.86; N, 10.93; O, 15.60
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Synonym: Umespirone; Umespirona; Umespironum;
IUPAC/Chemical Name: 3,7-Diazabicyclo(3.3.1)nonane-2,4,6,8-tetrone, 3-butyl-7-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-9,9-dimethyl-
InChi Key: BXNRTMZZILHVNJ-UHFFFAOYSA-N
InChi Code: InChI=1S/C28H40N4O5/c1-5-6-14-31-24(33)22-26(35)32(27(36)23(25(31)34)28(22,2)3)15-10-9-13-29-16-18-30(19-17-29)20-11-7-8-12-21(20)37-4/h7-8,11-12,22-23H,5-6,9-10,13-19H2,1-4H3
SMILES Code: O=C(N(CCCC)C(C1C(N2CCCCN3CCN(C4=CC=CC=C4OC)CC3)=O)=O)C(C1(C)C)C2=O
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: >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:
| Biological target: | |
| In vitro activity: | |
| In vivo activity: |
The following data is based on the product molecular weight 512.65 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.
| 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 |
| Formulation protocol: | |
| In vitro protocol: | |
| In vivo protocol: |
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1: Holland RL, Wesnes K, Dietrich B. Single dose human pharmacology of umespirone. Eur J Clin Pharmacol. 1994;46(5):461-8. PubMed PMID: 7957544.
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7: Krähling H, Fuchs A, Ruhland M, Schön U, Mol F, Tulp M. KC 9172 (free base of KC 7218)--an antipsychotic/anxiolytic compound. II. Discrimination from typical neuroleptics and benzodiazepine-like minor tranquilizers. Pharmacopsychiatry. 1988 Nov;21(6):399-401. PubMed PMID: 2907650.
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