MedKoo Cat#: 530352 | Name: BMS-986104 HCl

Description:

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

BMS-986104 is a potent and selective S1P1 receptor modulator, which demonstrates ligand-biased signaling and differentiates from 1 in terms of cardiovascular and pulmonary safety based on preclinical pharmacology while showing equivalent efficacy in a T-cell transfer colitis model. Mechanistically, BMS-986104 exhibited excellent remyelinating effects on lysophosphatidylcholine (LPC) induced demyelination in a three-dimensional brain cell culture assay.

Chemical Structure

BMS-986104 HCl
CAS#1622180-39-5 (HCl)

Theoretical Analysis

MedKoo Cat#: 530352

Name: BMS-986104 HCl

CAS#: 1622180-39-5 (HCl)

Chemical Formula: C22H36ClNO

Exact Mass: 329.2719

Molecular Weight: 365.99

Elemental Analysis: C, 72.20; H, 9.92; Cl, 9.69; N, 3.83; O, 4.37

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 #
1622180-39-5 (HCl) 1622180-31-7 (free base) 1622180-41-9 (malate) 1622180-42-0 (malonate) 1622180-44-2 (phosphate)
Synonym
BMS-986104; BMS 986104; BMS986104.
IUPAC/Chemical Name
((1R,3S)‑1-Amino-3-((R)‑6-hexyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl)methanol hydrochloride
InChi Key
WCKKBCDBFSCZPU-VELQMZPHSA-N
InChi Code
InChI=1S/C22H35NO.ClH/c1-2-3-4-5-6-17-7-8-19-14-20(10-9-18(19)13-17)21-11-12-22(23,15-21)16-24;/h9-10,14,17,21,24H,2-8,11-13,15-16,23H2,1H3;1H/t17-,21+,22-;/m1./s1
SMILES Code
OC[C@]1(N)C[C@@H](C2=CC=C3C[C@H](CCCCCC)CCC3=C2)CC1.[H]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
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 365.99 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: Dhar TG, Xiao HY, Xie J, Lehman-McKeeman LD, Wu DR, Dabros M, Yang X, Taylor TL, Zhou XD, Heimrich EM, Thomas R, McIntyre KW, Warrack B, Shi H, Levesque PC, Zhu JL, Hennan J, Balimane P, Yang Z, Marino AM, Cornelius G, D'Arienzo CJ, Mathur A, Shen DR, Cvijic ME, Salter-Cid L, Barrish JC, Carter PH, Dyckman AJ. Identification and Preclinical Pharmacology of BMS-986104: A Differentiated S1P1 Receptor Modulator in Clinical Trials. ACS Med Chem Lett. 2016 Jan 19;7(3):283-8. doi: 10.1021/acsmedchemlett.5b00448. PubMed PMID: 26985316; PubMed Central PMCID: PMC4789672. 2. Asymmetric Hydroboration Approach to the Scalable Synthesis of ((1R,3S)-1-Amino-3-((R)-6-hexyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl)methanol (BMS-986104) as a Potent S1P1 Receptor Modulator Michael G. Yang, Zili Xiao, T. G. Murali Dhar, Hai-Yun Xiao, John L. Gilmore, David Marcoux, Jenny H. Xie, Kim W. McIntyre, Tracy L. Taylor, Virna Borowski, Elizabeth Heimrich, Yu-Wen Li, Jianlin Feng, Alda Fernandes, Zheng Yang, Praveen Balimane, Anthony M. Marino, Georgia Cornelius, Bethanne M. Warrack, Arvind Mathur, Dauh-Rurng Wu, Peng Li, Anuradha Gupta, Bala Pragalathan, Ding Ren Shen, Mary Ellen Cvijic, Lois D. Lehman-McKeeman, Luisa Salter-Cid, Joel C. Barrish, Percy H. Carter, and Alaric J. Dyckman Publication Date (Web): November 23, 2016 (Article) DOI: 10.1021/acs.jmedchem.6b01433