GLS-IN-968
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MedKoo CAT#: 562397

CAS#: 311795-38-7

Description: GLS-IN-968 is an allosteric inhibitor of glutaminase (GLS). It acts by blocking Rho-GTPase-dependent transformation of fibroblasts and suppressing breast cancer cell growth and invasive activity in vitro.


Chemical Structure

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GLS-IN-968
CAS# 311795-38-7

Theoretical Analysis

MedKoo Cat#: 562397
Name: GLS-IN-968
CAS#: 311795-38-7
Chemical Formula: C27H27BrN2O
Exact Mass: 474.13
Molecular Weight: 475.430
Elemental Analysis: C, 68.21; H, 5.72; Br, 16.81; N, 5.89; O, 3.37

Price and Availability

Size Price Availability Quantity
5mg USD 285 2 Weeks
10mg USD 500 2 Weeks
25mg USD 950 2 Weeks
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Synonym: GLS-IN-968; GLS IN 968; GLSIN968; Glutaminase inhibitor-968; Glutaminase inhibitor 968; GLS inhibitor 968; Glutaminase inhibitor compound 968;

IUPAC/Chemical Name: 5-[3-Bromo-4-(dimethylamino)phenyl]-2,3,5,6-tetrahydro-2,2-dimethylbenzo[a]phenanthridin-4(1H)-one

InChi Key: NVFRRJQWRZFDLM-UHFFFAOYSA-N

InChi Code: InChI=1S/C27H27BrN2O/c1-27(2)14-19-24-18-8-6-5-7-16(18)9-11-21(24)29-26(25(19)23(31)15-27)17-10-12-22(30(3)4)20(28)13-17/h5-13,26,29H,14-15H2,1-4H3

SMILES Code: O=C1C(C(C2=CC=C(N(C)C)C(Br)=C2)NC3=C4C5=CC=CC=C5C=C3)=C4CC(C)(C)C1

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:

Product Data:
Biological target: Glutaminase C-IN-1 (Compound 968) is an allosteric inhibitor of Glutaminase C that inhibits cancer cell growth without affecting their normal cellular counterparts.
In vitro activity: Treatment of primary MM cells with 968 (glutaminase C-IN-1) also induced apoptosis (Figure 1e). In 13 primary patient samples, there was on average a 62% decrease in viable cells in the presence of 10 μM 968 (p= 0.01 to DMSO treatment on non-normalized data). Treatment of five PBMC samples with 968 decreased the percentage of viable cells only to 94% compared to the DMSO control. Reference: Oncotarget. 2017 Aug 24;8(49):85858-85867. https://pubmed.ncbi.nlm.nih.gov/29156762/
In vivo activity: In xenograft mouse models of endometrial cancer, compound 968 significantly suppressed tumor growth. Reference: Anticancer Agents Med Chem. 2022 May 13. https://pubmed.ncbi.nlm.nih.gov/35570522/

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMF 16.0 33.65
DMF:PBS (pH 7.2) (1:2) 0.3 0.63
DMSO 24.9 52.33
Ethanol 0.5 1.05

Preparing Stock Solutions

The following data is based on the product molecular weight 475.43 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. Effenberger M, Bommert KS, Kunz V, Kruk J, Leich E, Rudelius M, Bargou R, Bommert K. Glutaminase inhibition in multiple myeloma induces apoptosis via MYC degradation. Oncotarget. 2017 Aug 24;8(49):85858-85867. doi: 10.18632/oncotarget.20691. PMID: 29156762; PMCID: PMC5689652. 2. Han T, Guo M, Zhang T, Gan M, Xie C, Wang JB. A novel glutaminase inhibitor-968 inhibits the migration and proliferation of non-small cell lung cancer cells by targeting EGFR/ERK signaling pathway. Oncotarget. 2017 Apr 25;8(17):28063-28073. doi: 10.18632/oncotarget.14188. PMID: 28039459; PMCID: PMC5438631. 3. Guo H, Li W, Pan G, Wang C, Li D, Liu N, Sheng X, Yuan L. The Glutaminase Inhibitor Compound 968 Exhibits Potent in vitro and in vivo Anti-tumor Effects in Endometrial Cancer. Anticancer Agents Med Chem. 2022 May 13. doi: 10.2174/1871520622666220513163341. Epub ahead of print. PMID: 35570522.
In vitro protocol: 1. Effenberger M, Bommert KS, Kunz V, Kruk J, Leich E, Rudelius M, Bargou R, Bommert K. Glutaminase inhibition in multiple myeloma induces apoptosis via MYC degradation. Oncotarget. 2017 Aug 24;8(49):85858-85867. doi: 10.18632/oncotarget.20691. PMID: 29156762; PMCID: PMC5689652. 2. Han T, Guo M, Zhang T, Gan M, Xie C, Wang JB. A novel glutaminase inhibitor-968 inhibits the migration and proliferation of non-small cell lung cancer cells by targeting EGFR/ERK signaling pathway. Oncotarget. 2017 Apr 25;8(17):28063-28073. doi: 10.18632/oncotarget.14188. PMID: 28039459; PMCID: PMC5438631.
In vivo protocol: 1. Guo H, Li W, Pan G, Wang C, Li D, Liu N, Sheng X, Yuan L. The Glutaminase Inhibitor Compound 968 Exhibits Potent in vitro and in vivo Anti-tumor Effects in Endometrial Cancer. Anticancer Agents Med Chem. 2022 May 13. doi: 10.2174/1871520622666220513163341. Epub ahead of print. PMID: 35570522.

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1: Han T, Guo M, Zhang T, Gan M, Xie C, Wang JB. A novel glutaminase inhibitor-968 inhibits the migration and proliferation of non-small cell lung cancer cells by targeting EGFR/ERK signaling pathway. Oncotarget. 2017 Apr 25;8(17):28063-28073. doi: 10.18632/oncotarget.14188. PubMed PMID: 28039459; PubMed Central PMCID: PMC5438631.

2: Xie C, Jin J, Bao X, Zhan WH, Han TY, Gan M, Zhang C, Wang J. Inhibition of mitochondrial glutaminase activity reverses acquired erlotinib resistance in non-small cell lung cancer. Oncotarget. 2016 Jan 5;7(1):610-21. doi: 10.18632/oncotarget.6311. PubMed PMID: 26575584; PubMed Central PMCID: PMC4808021.