MedKoo Cat#: 565368 | Name: BMS-1166 free base
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Description:

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

BMS-1166 is a potent PD-1/PD-L1 interaction inhibitor. BMS-1166 binds to human PD-L1 and blocks its interaction with PD-1. BMS-1166 alleviates the inhibitory effect of the soluble PD-L1 on the T-cell receptor-mediated activation of T-lymphocytes. Moreover, BMS-1166 was effective in attenuating the inhibitory effect of the cell surface-associated PD-L1.

Chemical Structure

BMS-1166 free base
BMS-1166 free base
CAS#1818314-88-3 (free base)

Theoretical Analysis

MedKoo Cat#: 565368

Name: BMS-1166 free base

CAS#: 1818314-88-3 (free base)

Chemical Formula: C36H33ClN2O7

Exact Mass: 640.1976

Molecular Weight: 641.12

Elemental Analysis: C, 67.44; H, 5.19; Cl, 5.53; N, 4.37; O, 17.47

Price and Availability

Size Price Availability Quantity
25mg USD 450.00 2 Weeks
50mg USD 800.00 2 Weeks
100mg USD 1,450.00 2 Weeks
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Synonym
BMS1166; BMS 1166; BMS-1166; BMS-1166 free base;
IUPAC/Chemical Name
(2R,4R)-1-(5-Chloro-2-((3-cyanobenzyl)oxy)-4-((3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-methylbenzyl)oxy)benzyl)-4-hydroxypyrrolidine-2-carboxylic acid
InChi Key
QBXVXKRWOVBUDB-GRKNLSHJSA-N
InChi Code
InChI=1S/C36H33ClN2O7/c1-22-26(6-3-7-29(22)25-8-9-32-35(14-25)44-11-10-43-32)21-46-34-16-33(45-20-24-5-2-4-23(12-24)17-38)27(13-30(34)37)18-39-19-28(40)15-31(39)36(41)42/h2-9,12-14,16,28,31,40H,10-11,15,18-21H2,1H3,(H,41,42)/t28-,31-/m1/s1
SMILES Code
O=C([C@@H]1N(CC2=CC(Cl)=C(OCC3=CC=CC(C4=CC=C5OCCOC5=C4)=C3C)C=C2OCC6=CC=CC(C#N)=C6)C[C@H](O)C1)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
>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 641.12 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: Skalniak L, Zak KM, Guzik K, Magiera K, Musielak B, Pachota M, Szelazek B, Kocik J, Grudnik P, Tomala M, Krzanik S, Pyrc K, Dömling A, Dubin G, Holak TA. Small-molecule inhibitors of PD-1/PD-L1 immune checkpoint alleviate the PD-L1-induced exhaustion of T-cells. Oncotarget. 2017 Aug 7;8(42):72167-72181. doi: 10.18632/oncotarget.20050. eCollection 2017 Sep 22. PubMed PMID: 29069777; PubMed Central PMCID: PMC5641120.