TZ9 - Moligand™,≥99% , CAS No.1002789-86-7

CAS: 1002789-86-7 Cat. No.: T651453 Molecular Weight: 366.33 PubChem CID: 7593228
AVAILABLE TO ORDER
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%
Synonyms
(4-Amino-6-(phenylamino)-1,3,5-triazin-2-yl)methyl 4-nitrobenzoate
Storage
Protected from light,Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
T651453-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$59.90
25mg
T651453-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$149.90
50mg
T651453-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$253.90
100mg
T651453-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$429.90
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Why this grade

Moligand™,≥99% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Protected from light,Store at -20°C,Argon charged Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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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.

Overview

TZ9 is a selective Rad6 inhibitor. TZ9 inhibits Rad6B -induced histone H2A ubiquitination, downregulates intracellular β-catenin , induces G2-M arrest and apoptosis , and inhibits the proliferation and migration of metastatic human breast cancer cells.

In Vitro

TZ9 (Rad6B SMI #9) (0.5-100 µM; 72 h) inhibits MDA-MB-231 cell proliferation and migration. TZ9 (0.1-5 µM; 24-72 h) delays cell-cycle progression in MDA-MB-231 cells. TZ9 (5 µM; 8-48 h) induces apoptosis in MDA-MB-231 cells. TZ9 (0.5, 1, 2.5, 5 µM; 24 h) inhibits H2A ubiquitination and downregulates levels of PCNA and β-catenin protein in MDA-MB-231 cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Proliferation AssayCell Line: MDA-MB-231 cells Concentration: 0.5-100 µM Incubation Time: 72 h Result: Inhibited MDA-MB-231 cell proliferation with IC 50 ~6µM. Apoptosis AnalysisCell Line: MDA-MB-231 cells Concentration: 5 µM Incubation Time: 8-48 h Result: Induced cells apoptosis. Cell Cycle AnalysisCell Line: MDA-MB-231 cells Concentration: 0.1-5 µM Incubation Time: 24-72 h Result: Increased the proportion of G2-M-arrested cells by 2-fold and was accompanied by a proportional decrease in S-phase cells when at 24 h. Significantly increased the percentage of cells with cytoplasmic/nuclear cyclin B1 staining. Western Blot AnalysisCell Line: MDA-MB-231 cells Concentration: 0.5, 1, 2.5, 5 µM Incubation Time: 24 h Result: Inhibited H2A ubiquitination, decreased PCNA and β-catenin protein levels.

Form:Solid

Specifications

Synonyms
(4-Amino-6-(phenylamino)-1, 3, 5-triazin-2-yl)methyl 4-nitrobenzoate
Specifications & Purity
Moligand™, ≥99%
Biochemical and Physiological Mechanisms
TZ9 is a selective Rad6 inhibitor. TZ9 inhibits Rad6B -induced histone H2A ubiquitination, downregulates intracellular β-catenin , induces G2-M arrest and apoptosis , and inhibits the proliferation and migration of metastatic human breast cancer cells
Storage
Protected from light, Store at -20°C, Argon charged
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
INHIBITOR
Purity
≥99%
Names and Identifiers
Canonical SmilesC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
IUPAC Name(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-nitrobenzoate
InChIKeyRRRDZFQRNJTKHL-UHFFFAOYSA-N
INCHI1S/C17H14N6O4/c18-16-20-14(21-17(22-16)19-12-4-2-1-3-5-12)10-27-15(24)11-6-8-13(9-7-11)23(25)26/h1-9H,10H2,(H3,18,19,20,21,22)
Isomeric SMILES C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
PubChem CID 7593228
Molecular Weight 366.33

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
ClassBenzene and substituted derivatives
SubclassBenzoic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentNitrobenzoic acids and derivatives
Alternative Parents Benzoic acid esters  Nitrobenzenes  1,3,5-triazine-2,4-diamines  Aniline and substituted anilines  Benzoyl derivatives  Nitroaromatic compounds  1,3,5-triazines  Heteroaromatic compounds  Carboxylic acid esters  Amino acids and derivatives  Organic oxoazanium compounds  Propargyl-type 1,3-dipolar organic compounds  Secondary amines  Azacyclic compounds  Organic oxides  Hydrocarbon derivatives  Organic salts  Organic zwitterions  Organooxygen compounds  Primary amines  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Nitrobenzoate - Benzoate ester - Nitrobenzene - 2,4-diamine-s-triazine - Nitroaromatic compound - Benzoyl - Aniline or substituted anilines - Amino-1,3,5-triazine - Aminotriazine - Triazine - 1,3,5-triazine - Heteroaromatic compound - Amino acid or derivatives - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Secondary amine - Organic oxoazanium - Azacycle - Organic salt - Organonitrogen compound - Organooxygen compound - Primary amine - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
UBE2B Tchem Ubiquitin-conjugating enzyme E2 B (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HT-29 (80576 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A2780 (11979 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDA-MB-231 (73002 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SolubilityDMSO : ≥ 40 mg/mL (109.19 mM)
SensitivityMoisture sensitive;Light sensitive
Molecular Weight366.300 g/mol
XLogP32.700
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass366.108 Da
Monoisotopic Mass366.108 Da
Topological Polar Surface Area149.000 Ų
Heavy Atom Count27
Formal Charge0
Complexity502.000
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
Solution Calculators
Reviews

Customer Reviews

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