WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H524424
CAS#: 146479-45-0
Description: BMS-181101 is a novel antidepressant drug that is currently under clinical investigation, with a novel pharmacological profile as a serotonin reuptake inhibitor and an agonist at the serotonin 5-HT receptors.
Hodoodo Cat#: H524424
Name: BMS 181101
CAS#: 146479-45-0
Chemical Formula: C20H26Cl2FN5O
Exact Mass: 0.00
Molecular Weight: 442.360
Elemental Analysis: C, 54.30; H, 5.92; Cl, 16.03; F, 4.29; N, 15.83; O, 3.62
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Synonym: BMS 181101; BMS181101; BMS-181101;
IUPAC/Chemical Name: 1H-Indole, 5-fluoro-3-(3-(4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl)propyl)-, dihydrochloride
InChi Key: FSZXJSRMZRCZOD-UHFFFAOYSA-N
InChi Code: InChI=1S/C20H24FN5O.2ClH/c1-27-19-13-22-14-24-20(19)26-9-7-25(8-10-26)6-2-3-15-12-23-18-5-4-16(21)11-17(15)18;;/h4-5,11-14,23H,2-3,6-10H2,1H3;2*1H
SMILES Code: [nH]1c2ccc(cc2c(CCCN2CCN(CC2)c2ncncc2OC)c1)F.Cl.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, 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:
| Biological target: | |
| In vitro activity: | |
| In vivo activity: |
The following data is based on the product molecular weight 442.36 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.
| 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: |
1: Newman-Tancredi A, Cussac D, Marini L, Touzard M, Millan MJ. h5-HT(1B) receptor-mediated constitutive Galphai3-protein activation in stably transfected Chinese hamster ovary cells: an antibody capture assay reveals protean efficacy of 5-HT. Br J Pharmacol. 2003 Mar;138(6):1077-84. PubMed PMID: 12684263; PubMed Central PMCID: PMC1573751.
2: Chang SY, Whigan D, Shyu WC, Srinivas NR. Sensitive triple-quadrupole mass spectrometric assay for the determination of BMS-181885, a 5-HT1 agonist, in human plasma following solid phase extraction. Biomed Chromatogr. 1999 Oct;13(6):425-30. PubMed PMID: 10477901.
3: Salazar DE, Fischman AJ. Central nervous system pharmacokinetics of psychiatric drugs. J Clin Pharmacol. 1999 Aug;Suppl:10S-12S. PubMed PMID: 10434241.
4: Vachharajani NN, Shyu WC, Shah VR, Barbhaiya RH. Pharmacokinetic assessment of the sites of first-pass metabolism of BMS-181101, an antidepressant agent, in rats. J Pharm Pharmacol. 1998 Mar;50(3):275-8. PubMed PMID: 9600718.
5: Srinivas NR, Shyu WC, Gleason C, Schuster A, Greene DS, Barbhaiya RH. Effects of age, gender, and diurnal variation on the steady-state pharmacokinetics of BMS-181101, an antidepressant, in healthy subjects. Clin Pharmacol Ther. 1997 Oct;62(4):408-16. PubMed PMID: 9357392.
6: Srinivas NR, Shyu WC, Lee J, Greene DS, Barbhaiya RH. Lack of effect of food on the steady state pharmacokinetics of BMS-181101, an antidepressant, in healthy subjects. Biopharm Drug Dispos. 1997 Oct;18(7):585-93. PubMed PMID: 9330779.
7: Christian BT, Livni E, Babich JW, Alpert NM, Dischino DD, Ruediger E, Salazar DE, Ford NF, Fischman AJ. Evaluation of cerebral pharmacokinetics of the novel antidepressant drug, BMS-181101, by positron emission tomography. J Pharmacol Exp Ther. 1996 Oct;279(1):325-31. PubMed PMID: 8859010.
8: Shah VR, Srinivas NR, Campbell DA, Mantha S, Duncan G, Schuster A, Whigan DW, Shyu WC. High-performance liquid chromatographic-ultraviolet assay for the simultaneous quantitation of BMS-181101 and its putative hydroxy metabolites in rat and monkey plasma. Biomed Chromatogr. 1996 May-Jun;10(3):135-8. PubMed PMID: 8792865.
