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Merck
CN

SML2472

UPGL00004

≥98% (HPLC)

Synonym(s):

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, N-[5-[4-[[5-[(2-Phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]amino]-1-piperidinyl]-1,3,4-thiadiazol-2-yl]benzeneacetamide

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About This Item

Empirical Formula (Hill Notation):
C25H26N8O2S2
CAS Number:
1890169-95-5
Molecular Weight:
534.66
UNSPSC Code:
12352200
NACRES:
NA.77

Key Documents

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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)

InChI key

MRYCNTHLPRENBA-UHFFFAOYSA-N

SMILES string

O=C(CC1=CC=CC=C1)NC(S2)=NN=C2N(CC3)CCC3NC4=NN=C(NC(CC5=CC=CC=C5)=O)S4

assay

≥98% (HPLC)

form

powder

color

white to pink

solubility

DMSO: 2 mg/mL, clear

storage temp.

2-8°C

Related Categories

Biochem/physiol Actions

UPGL00004, a BPTES analog, is an orally available, potent and selective inhibitor of glutaminase C (GAC) that potently inhibits the growth of triplenegative breast cancer cells. UPGL00004 directly binds to the allosteric site at GAC.
orally available, potent and selective inhibitor of glutaminase C (GAC)

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
0000064823
0000064824
0000058544

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