UPGL00004 - 10mM in DMSO , CAS No.1890169-95-5

CAS: 1890169-95-5 Cat. No.: U422314 분자식: C25H26N8O2S2 분자량: 534.66 PubChem CID: 121256411
주문 가능
GRADE & PURITY 10mM in DMSO
Synonyms
Benzeneacetamide,N-​[5-​[4-​[[5-​[(2-​phenylacetyl)​amino]​-​1,​3,​4-​thiadiazol-​2-​yl]​amino]​-​1-​piperidinyl]​-​1,​3,​4-​thiadiazol-​2-​yl]​-
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
★
Size
USA
독일 (EU)*
Price
Qty
1ml
U422314-1ml
2 재고 있음
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US$164.90

US$241.90
저장 US$77.00 (31.83%)
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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

개요

Information

UPGL00004 UPGL00004 is a potent glutaminase C (GAC) inhibitor with an IC50 of 29 nM, showing high selectivity for GAC over GLS2.

Targets

glutaminase C (Cell-free assay) 29 nM

In vitro

UPGL00004 potently inhibits the growth of triple negative breast cancer cells, as well as tumor growth when combined with the anti-VEGF antibody bevacizumab.

In vivo

UPGL00004 potently suppresses tumor growth in a patient-derived xenograft model for breast cancer, when combined with the anti-angiogenesis, anti-VEGF monoclonal antibody bevacizumab.

Cell Research(from reference)

Cell lines:Breast cancer cells 

Concentrations:0-10 μM 

Incubation Time:6 days 

Specifications

동의어
Benzeneacetamide,N-​[5-​[4-​[[5-​[(2-​phenylacetyl)​amino]​-​1,​3,​4-​thiadiazol-​2-​yl]​amino]​-​1-​piperidinyl]​-​1,​3,​4-​thiadiazol-​2-​yl]​-
사양 및 순도
10mM in DMSO
생화학 및 생리적 메커니즘
UPGL00004 is a potent glutaminase C (GAC) inhibitor with an IC50 of 29 nM, showing high selectivity for GAC over GLS2.
보관 조건
Store at -80°C
배송
Dry ice packs + Cold packs
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제품 특성
ALogP
3.091
HBD 수
3
회전 가능한 결합
9
이름과 식별자
Pubchem Sid
정식 스마일
C1CN(CCC1NC2=NN=C(S2)NC(=O)CC3=CC=CC=C3)C4=NN=C(S4)NC(=O)CC5=CC=CC=C5
IUPAC Name
2-phenyl-N-[5-[[1-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide
InChIKey
MRYCNTHLPRENBA-UHFFFAOYSA-N
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)
이성체 SMILES
C1CN(CCC1NC2=NN=C(S2)NC(=O)CC3=CC=CC=C3)C4=NN=C(S4)NC(=O)CC5=CC=CC=C5
PubChem CID
121256411
분자량
534.66

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
분류Benzene and substituted derivatives
SubclassPhenylacetamides
Intermediate Tree Nodes Not available
Direct ParentPhenylacetamides
Alternative Parents N-arylamides  Dialkylarylamines  Secondary alkylarylamines  2-amino-5-substituted-1,3,4-thiadiazoles  Piperidines  Heteroaromatic compounds  Secondary carboxylic acid amides  Amino acids and derivatives  Azacyclic compounds  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Phenylacetamide - N-arylamide - Dialkylarylamine - Secondary aliphatic/aromatic amine - 2-amino-5-substituted-1,3,4-thiadiazole - 2-amino-1,3,4-thiadiazole - Piperidine - Azole - Thiadiazole - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Secondary amine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
설명This compound belongs to the class of organic compounds known as phenylacetamides. These are amide derivatives of phenylacetic acids.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
GLS Tchem Glutaminase kidney isoform, mitochondrial (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
MDA-MB-231 (73002 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GLS Tchem Glutaminase kidney isoform, mitochondrial (16997 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
작용 메커니즘
인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

1 results found

Lot NumberCertificate Type날짜항목
F2413006Certificate of AnalysisApr 03, 2026 U422314
화학 및 물리적 특성
DMSO(mg/mL) 최대 용해도25
DMSO(mM) 최대 용해도46.7586877641866
물(mg/mL) 최대 용해도<1
분자량534.700 g/mol
XLogP34.000
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass534.162 Da
Monoisotopic Mass534.162 Da
Topological Polar Surface Area182.000 Ų
Heavy Atom Count37
Formal Charge0
Complexity744.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
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