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Unesbulin (PTC596) - 10mM in DMSO , CAS No.1610964-64-1

Unesbulin (PTC596) - 10mM in DMSO , CAS No.1610964-64-1

Name: Unesbulin (PTC596) - 10mM in DMSO , CAS No.1610964-64-1
SKU: U421940
Availability: InStock

CAS: 1610964-64-1 Cat. No.: U421940 Formula: C₁₉H₁₃F₅N₆ Peso molecolare: 420.34 PubChem CID: 74223469

COA

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Unesbulin (PTC596) - 10mM in DMSO CAS No(1610964-64-1) by Aladdin Scientific

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Disponibile su ordine

GRADE & PURITY 10mM in DMSO

Synonyms

UNESBULIN [INN] | AC-32587 | UNII-Z4HZ70S62Q | 5-FLUORO-2-(6-FLUORO-2-METHYL-1H-BENZIMIDAZOL-1-YL)-N4-(4-(TRIFLUOROMETHYL)PHENYL)-4,6-PYRIMIDINEDIAMINE | 5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica Specifications Proprietà del prodotto Nomi e identificatori Documentazione Advanced Data Taxonomic Classification Struttura 3D Certificati (CoA, COO, BSE/TSE e tabella di analisi) Proprietà chimiche e fisiche Calcolatori di soluzioni Recensioni

🧪

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.

Panoramica

Information

Unesbulin (PTC596) Unesbulin (PTC596) is a second-generation BMI-1 inhibitor that accelerates BMI-1 degradation. PTC596 downregulates MCL-1 and induces p53-independent mitochondrial apoptosis . IC50 values at 72 hours ranged from 68 to 340 nM in mantle cell lymphoma (MCL) cell lines.

Targets

BMI-1

In vitro

PTC596 induces mitochondrial apoptosis in BMI-1-expressing MCL cells in a p53-independent manner. MCL SP cells were susceptible to PTC596-induced apoptosis.

In vivo

PTC596 inhibits myeloid leukemia cell growth in vivo while sparing normal hematopoietic cells.

Cell Research(from reference)

Cell lines：Z-138 and REC-1 cells

Concentrations：300 nM

Incubation Time：24 h

Specifications

Sinonimi

Specifiche e purezza

10mM in DMSO

Meccanismi biochimici e fisiologici

Unesbulin (PTC596) is a second-generation BMI-1 inhibitor that accelerates BMI-1 degradation. PTC596 downregulates MCL-1 and induces p53-independent mitochondrial apoptosis. IC50 values at 72 hours ranged from 68 to 340 nM in mantle cell lymphoma (MCL) ce

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Proprietà del prodotto

ALogP

5.366

Conteggio HBD

Legame rotabile

Nomi e identificatori

Pubchem Sid

528769295

Sorrisi canonici

CC1=NC2=C(N1C3=NC(=C(C(=N3)NC4=CC=C(C=C4)C(F)(F)F)F)N)C=C(C=C2)F

IUPAC Name

5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

InChIKey

TWLWOOPCEXYVBE-UHFFFAOYSA-N

INCHI

1S/C19H13F5N6/c1-9-26-13-7-4-11(20)8-14(13)30(9)18-28-16(25)15(21)17(29-18)27-12-5-2-10(3-6-12)19(22,23)24/h2-8H,1H3,(H3,25,27,28,29)

Isomeri SMILES

CC1=NC2=C(N1C3=NC(=C(C(=N3)NC4=CC=C(C=C4)C(F)(F)F)F)N)C=C(C=C2)F

PubChem CID

74223469

Peso molecolare

420.34

Documentazione

📋 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

Kingdom Organic compounds
- Superclass Benzenoids
  - Classe Benzene and substituted derivatives
    - Subclass Trifluoromethylbenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Classe	Benzene and substituted derivatives
Subclass	Trifluoromethylbenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Trifluoromethylbenzenes
Alternative Parents	Benzimidazoles Aniline and substituted anilines Halopyrimidines Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Aryl fluorides Heteroaromatic compounds Azacyclic compounds Primary amines Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Trifluoromethylbenzene - Benzimidazole - Aniline or substituted anilines - Aminopyrimidine - Halopyrimidine - Aryl fluoride - Aryl halide - Imidolactam - Pyrimidine - N-substituted imidazole - Heteroaromatic compound - Azole - Imidazole - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Primary amine - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound
Descrizione	This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Struttura 3D

Certificati (CoA, COO, BSE/TSE e tabella di analisi)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Proprietà chimiche e fisiche

DMSO (mg/mL) Solubilità massima	84
DMSO (mM) Solubilità massima	199.83822619784
Acqua (mg/mL) Solubilità massima	＜1
Peso molecolare	420.300 g/mol
XLogP3	4.700
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	3
Exact Mass	420.112 Da
Monoisotopic Mass	420.112 Da
Topological Polar Surface Area	81.700 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	586.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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Recensioni

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