BMS-986122
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MedKoo CAT#: 531573

CAS#: 313669-88-4

Description: BMS-986122 is a positive allosteric modulator of the μ-Opioid Receptor.

Chemical Structure

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BMS-986122
CAS# 313669-88-4
Instruction

Theoretical Analysis

MedKoo Cat#: 531573
Name: BMS-986122
CAS#: 313669-88-4
Chemical Formula: C16H15BrClNO3S2
Exact Mass: 446.94
Molecular Weight: 448.770
Elemental Analysis: C, 42.82; H, 3.37; Br, 17.80; Cl, 7.90; N, 3.12; O, 10.70; S, 14.29

Price and Availability

Size Price Availability Quantity
5mg USD 295 2 weeks
25mg USD 950 2 weeks
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Synonym: BMS-986122; BMS 986122; BMS986122.

IUPAC/Chemical Name: 2-(3-bromo-4-methoxyphenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine

InChi Key: PNGJPVDGZNPZHY-UHFFFAOYSA-N

InChi Code: InChI=1S/C16H15BrClNO3S2/c1-22-15-7-2-11(10-14(15)17)16-19(8-9-23-16)24(20,21)13-5-3-12(18)4-6-13/h2-7,10,16H,8-9H2,1H3

SMILES Code: O=S(N1C(C2=CC=C(OC)C(Br)=C2)SCC1)(C3=CC=C(Cl)C=C3)=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:

Preparing Stock Solutions

The following data is based on the product molecular weight 448.77 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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: Bisignano P, Burford NT, Shang Y, Marlow B, Livingston KE, Fenton AM, Rockwell K, Budenholzer L, Traynor JR, Gerritz SW, Alt A, Filizola M. Ligand-Based Discovery of a New Scaffold for Allosteric Modulation of the μ-Opioid Receptor. J Chem Inf Model. 2015 Sep 28;55(9):1836-43. doi: 10.1021/acs.jcim.5b00388. PubMed PMID: 26347990; PubMed Central PMCID: PMC4703110.

2: Livingston KE, Traynor JR. Disruption of the Na+ ion binding site as a mechanism for positive allosteric modulation of the mu-opioid receptor. Proc Natl Acad Sci U S A. 2014 Dec 23;111(51):18369-74. doi: 10.1073/pnas.1415013111. PubMed PMID: 25489080; PubMed Central PMCID: PMC4280615.

3: Burford NT, Clark MJ, Wehrman TS, Gerritz SW, Banks M, O'Connell J, Traynor JR, Alt A. Discovery of positive allosteric modulators and silent allosteric modulators of the μ-opioid receptor. Proc Natl Acad Sci U S A. 2013 Jun 25;110(26):10830-5. doi: 10.1073/pnas.1300393110. PubMed PMID: 23754417; PubMed Central PMCID: PMC3696790.