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

CAS: 1610964-64-1 Cat. No.: U421940 Molecular Weight: 420.34 PubChem CID: 74223469

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

Overview

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

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

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

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

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Product Properties

• ALogP: 5.366
• HBD Count: 2
• Rotatable Bond: 4

Names and Identifiers

• Canonical 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
• 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)
• Isomeric 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
• Molecular Weight: 420.34

Chemical and Physical Properties

• DMSO(mg / mL) Max Solubility: 84
• DMSO(mM) Max Solubility: 199.83822619784
• Water(mg / mL) Max Solubility: ＜1
• Molecular Weight: 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 Ų
• 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