MedKoo Cat#: 207121 | Name: BI-2852
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Description:

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

BI-2852 is a potent KRAS inhibitor that binds with nanomolar affinity to a pocket, thus far perceived to be "undruggable," between switch I and II on RAS. BI-2852 is mechanistically distinct from covalent KRASG12C inhibitors because it binds to a different pocket present in both the active and inactive forms of KRAS. BI-2852 blocks GEF, GAP, and effector interactions with KRAS, leading to inhibition of downstream signaling and an antiproliferative effect in KRAS mutant cells.

Chemical Structure

BI-2852
BI-2852
CAS#2375482-51-0

Theoretical Analysis

MedKoo Cat#: 207121

Name: BI-2852

CAS#: 2375482-51-0

Chemical Formula: C31H28N6O2

Exact Mass: 516.2274

Molecular Weight: 516.61

Elemental Analysis: C, 72.07; H, 5.46; N, 16.27; O, 6.19

Price and Availability

Size Price Availability Quantity
5mg USD 650.00 2 weeks
500mg USD 3,650.00 2-3 months
1g USD 5,950.00 2-3 months
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Related CAS #
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Synonym
BI-2852; BI 2852; BI2852;
IUPAC/Chemical Name
(S)-5-hydroxy-3-(2-((((1-((1-methyl-1H-imidazol-4-yl)methyl)-1H-indol-6-yl)methyl)amino)methyl)-1H-indol-3-yl)isoindolin-1-one
InChi Key
JYEQLXOWWLNVDX-PMERELPUSA-N
InChi Code
InChI=1S/C31H28N6O2/c1-36-16-21(33-18-36)17-37-11-10-20-7-6-19(12-28(20)37)14-32-15-27-29(24-4-2-3-5-26(24)34-27)30-25-13-22(38)8-9-23(25)31(39)35-30/h2-13,16,18,30,32,34,38H,14-15,17H2,1H3,(H,35,39)/t30-/m0/s1
SMILES Code
OC(C=C1)=CC([C@@H](C2=C(CNCC3=CC4=C(C=CN4CC5=CN(C)C=N5)C=C3)NC6=CC=CC=C62)N7)=C1C7=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
Product Data
Biological target:
BI-2852 is a KRAS inhibitor for the switch I/II pocket (SI/II-pocket).
In vitro activity:
Combined treatment with the HBP inhibitor FR054 and the pan-RAS inhibitor BI-2852 caused an additive detrimental effect in KRASmut PDAC cells that was accompanied by a substantial decrease in the RAS-downstream signaling. The inhibitory effect of BI-2852, especially on cyclin D1 expression, was further enhanced by FR054. Reference: Cells. 2021 Feb 18;10(2):431. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7923121/
In vivo activity:
TBD
Solvent mg/mL mM
Solubility
DMSO 77.5 150.02
Ethanol 23.0 44.52
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 516.61 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:
1. Ricciardiello F, Bergamaschi L, De Vitto H, Gang Y, Zhang T, Palorini R, Chiaradonna F. Suppression of the HBP Function Increases Pancreatic Cancer Cell Sensitivity to a Pan-RAS Inhibitor. Cells. 2021 Feb 18;10(2):431. doi: 10.3390/cells10020431. PMID: 33670598; PMCID: PMC7923121.
In vitro protocol:
1. Ricciardiello F, Bergamaschi L, De Vitto H, Gang Y, Zhang T, Palorini R, Chiaradonna F. Suppression of the HBP Function Increases Pancreatic Cancer Cell Sensitivity to a Pan-RAS Inhibitor. Cells. 2021 Feb 18;10(2):431. doi: 10.3390/cells10020431. PMID: 33670598; PMCID: PMC7923121.
In vivo protocol:
TBD
1: Tran TH, Alexander P, Dharmaiah S, Agamasu C, Nissley DV, McCormick F, Esposito D, Simanshu DK, Stephen AG, Balius TE. The small molecule BI-2852 induces a nonfunctional dimer of KRAS. Proc Natl Acad Sci U S A. 2020 Feb 18;117(7):3363-3364. doi: 10.1073/pnas.1918164117. Epub 2020 Feb 11. PMID: 32047043; PMCID: PMC7035607. 2: Researchers Reveal Another KRAS Inhibitor. Cancer Discov. 2019 Sep;9(9):1152. doi: 10.1158/2159-8290.CD-NB2019-092. Epub 2019 Aug 6. PMID: 31387866. 3: Kessler D, Gmachl M, Mantoulidis A, Martin LJ, Zoephel A, Mayer M, Gollner A, Covini D, Fischer S, Gerstberger T, Gmaschitz T, Goodwin C, Greb P, Häring D, Hela W, Hoffmann J, Karolyi-Oezguer J, Knesl P, Kornigg S, Koegl M, Kousek R, Lamarre L, Moser F, Munico-Martinez S, Peinsipp C, Phan J, Rinnenthal J, Sai J, Salamon C, Scherbantin Y, Schipany K, Schnitzer R, Schrenk A, Sharps B, Siszler G, Sun Q, Waterson A, Wolkerstorfer B, Zeeb M, Pearson M, Fesik SW, McConnell DB. Drugging an undruggable pocket on KRAS. Proc Natl Acad Sci U S A. 2019 Aug 6;116(32):15823-15829. doi: 10.1073/pnas.1904529116. Epub 2019 Jul 22. PMID: 31332011; PMCID: PMC6689897.