UPGL00004
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MedKoo CAT#: 563913

CAS#: 1890169-95-5

Description: UPGL00004 is a potent inhibitor of glutaminase C (GAC). UPGL00004, like CB-839, more potently inhibits the enzymatic activity of GAC, compared with BPTES. UPGL00004 has a similar binding affinity as CB-839 for GAC. UPGL00004 potently inhibits the growth of triple-negative breast cancer cells, as well as tumor growth when combined with the anti-vascular endothelial growth factor antibody bevacizumab. UPGL00004 occupies the same binding site as CB-839 or BPTES and that all three inhibitors regulate the enzymatic activity of GAC via a similar allosteric mechanism.


Chemical Structure

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UPGL00004
CAS# 1890169-95-5

Theoretical Analysis

MedKoo Cat#: 563913
Name: UPGL00004
CAS#: 1890169-95-5
Chemical Formula: C25H26N8O2S2
Exact Mass: 534.16
Molecular Weight: 534.660
Elemental Analysis: C, 56.16; H, 4.90; N, 20.96; O, 5.98; S, 11.99

Price and Availability

Size Price Availability Quantity
50mg USD 450 2 Weeks
100mg USD 750 2 Weeks
200mg USD 1250 2 Weeks
500mg USD 2850 2 Weeks
1g USD 3850 2 Weeks
2g USD 6250 2 Weeks
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Related CAS #: 1890169-95-5    

Synonym: UPGL00004; UPGL-00004; UPGL 00004

IUPAC/Chemical Name: 2-Phenyl-N-(5-(4-((5-(2-phenylacetamido)-1,3,4-thiadiazol-2-yl)amino)piperidin-1-yl)-1,3,4-thiadiazol-2-yl)acetamide

InChi Key: MRYCNTHLPRENBA-UHFFFAOYSA-N

InChi Code: InChI=1S/C25H26N8O2S2/c34-20(15-17-7-3-1-4-8-17)27-23-30-29-22(36-23)26-19-11-13-33(14-12-19)25-32-31-24(37-25)28-21(35)16-18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H,26,29)(H,27,30,34)(H,28,31,35)

SMILES Code: O=C(NC1=NN=C(N2CCC(NC3=NN=C(NC(CC4=CC=CC=C4)=O)S3)CC2)S1)CC5=CC=CC=C5

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: 2934.99.03.00

More Info:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 534.66 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: Huang Q, Stalnecker C, Zhang C, McDermott LA, Iyer P, O'Neill J, Reimer S, Cerione RA, Katt WP. Characterization of the interactions of potent allosteric inhibitors with glutaminase C, a key enzyme in cancer cell glutamine metabolism. J Biol Chem. 2018 Mar 9;293(10):3535-3545. doi: 10.1074/jbc.M117.810101. Epub 2018 Jan 9. PubMed PMID: 29317493; PubMed Central PMCID: PMC5846160.