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MedKoo Cat#: 524424 | Name: BMS 181101

Description:

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

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.

Chemical Structure

BMS 181101
BMS 181101
CAS#146479-45-0

Theoretical Analysis

MedKoo Cat#: 524424

Name: BMS 181101

CAS#: 146479-45-0

Chemical Formula: C20H26Cl2FN5O

Exact Mass:

Molecular Weight: 442.36

Elemental Analysis: C, 54.30; H, 5.92; Cl, 16.03; F, 4.29; N, 15.83; O, 3.62

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 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

Preparing Stock Solutions

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.

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: 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.