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MedKoo Cat#: 555450 | Name: BMS-986166 free base

Description:

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

BMS-986166 is a potent and selective S1P receptor modulator for the treatment of ulcerative colitis..

Chemical Structure

BMS-986166 free base
BMS-986166 free base
CAS#1883345-06-9 (free base)

Theoretical Analysis

MedKoo Cat#: 555450

Name: BMS-986166 free base

CAS#: 1883345-06-9 (free base)

Chemical Formula: C25H33NO2

Exact Mass: 379.2511

Molecular Weight: 379.54

Elemental Analysis: C, 79.11; H, 8.76; N, 3.69; O, 8.43

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 #
1883345-07-0 (TFA) 1883345-06-9 (free base) 2552370-62-2 (HCl)
Synonym
BMS-986166; BMS 986166; BMS986166; Udifitimod
IUPAC/Chemical Name
((1R,3S)-1-amino-3-((S)-6-(2-methoxyphenethyl)-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl)methanol
InChi Key
QCMHGCDOZLWPOT-FMNCTDSISA-N
InChi Code
InChI=1S/C25H33NO2/c1-28-24-5-3-2-4-19(24)8-6-18-7-9-21-15-22(11-10-20(21)14-18)23-12-13-25(26,16-23)17-27/h2-5,10-11,15,18,23,27H,6-9,12-14,16-17,26H2,1H3/t18-,23+,25-/m1/s1
SMILES Code
OC[C@]1(N)C[C@@H](C2=CC=C3C[C@H](CCC4=CC=CC=C4OC)CCC3=C2)CC1
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 379.54 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: Gilmore J, Xiao HY, Dhar TGM, Yang MG, Xiao Z, Xie JH, Lehman-McKeeman LD, Gong LL, Sun H, LeCureux L, Chen C, Wu DR, Dabros M, Wang X, Taylor T, Zhou XD, Heimrich E, Thomas R, McIntyre KW, Borowski V, Warrack BM, Li Y, Shi H, Levesque PC, Yang Z, Marino AM, Cornelius G, D'Arienzo CJ, Mathur A, Rampulla RA, Gupta A, Pragalathan B, Shen DR, Cvijic ME, Salter-Cid LM, Carter PH, Dyckman AJ. Identification and Preclinical Pharmacology of ((1R,3S)-1-amino-3-((S)-6-(2-methoxyphenethyl)-5,6,7,8-tetrahydronaphthalen-2-yl) cyclopentyl)methanol (BMS-986166): A Differentiated Sphingosine-1-Phosphate (S1P1) Receptor Modulator Advanced into Clinical Trials. J Med Chem. 2019 Feb 20. doi: 10.1021/acs.jmedchem.8b01695. [Epub ahead of print] PubMed PMID: 30785748.