NEO2734 - 10mM in DMSO , CAS No.2081072-29-7

CAS: 2081072-29-7 Cat. No.: N492067 Formula: C₂₂H₂₄F₃N₃O₃ Molecular Weight: 435.44

GRADE & PURITY 10mM in DMSO

Synonyms

EP316702 | 1,​3-​dimethyl-​5-​[2-​(tetrahydro-​2H-​pyran-​4-​yl)​-​1-​[2-​(trifluoromethoxy)​ethyl]​-​1H-​benzimidazol-​6-​yl]​- (1H)​-​Pyridinone

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Information

NEO2734 NEO2734 (EP31670) is a novel, orally active and selective dual inhibitor of p300/CBP and BET bromodomain with IC50 of both <30 nM.

Targets

p300/CBP (Cell-free assay); BET (Cell-free assay) <30 nM; <30 nM

In vitro

Treatment of NMC cells with the novel dual p300/CBP and BET bromodomain–selective inhibitor, NEO2734, potently inhibits growth and induces differentiation of NMC cells in vitro; findings that correspond with potentiated transcriptional effects from combined BET and p300 bromodomain inhibition.

In vivo

In three disseminated NMC xenograft models, NEO2734 provides greater growth inhibition, with tumor regression and significant survival benefit seen in two of three models, compared with a lead clinical BET inhibitor or “standard” chemotherapy.

Cell Research(from reference)

Cell lines：NUT carcinoma patient cell lines (TC-797, 14169, 10-15, PER-403) 

Concentrations：1 μM 

Incubation Time：24 h 

Specifications

Synonyms

EP316702 | 1,​3-​dimethyl-​5-​[2-​(tetrahydro-​2H-​pyran-​4-​yl)​-​1-​[2-​(trifluoromethoxy)​ethyl]​-​1H-​benzimidazol-​6-​yl]​- (1H)​-​Pyridinone

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

NEO2734 (EP31670) is a novel, orally active and selective dual inhibitor of p300/CBP and BET bromodomain with IC50 of both <30 nM.

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.

Action Type

INHIBITOR

Names and Identifiers

Pubchem Sid

528766261

Canonical Smiles

CC1=CC(=CN(C1=O)C)C2=CC3=C(C=C2)N=C(N3CCOC(F)(F)F)C4CCOCC4

IUPAC Name

1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]pyridin-2-one

InChIKey

KPWWFNXRLAAREN-UHFFFAOYSA-N

INCHI

1S/C22H24F3N3O3/c1-14-11-17(13-27(2)21(14)29)16-3-4-18-19(12-16)28(7-10-31-22(23,24)25)20(26-18)15-5-8-30-9-6-15/h3-4,11-13,15H,5-10H2,1-2H3

Molecular Weight

435.44

Reaxy-Rn

30909951

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30909951&ln=

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro DMSO: 87 mg/mL (199.79 mM); Ethanol: 87 mg/mL (199.79 mM); Water: Insoluble
• Molecular Weight: 435.400 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 435.177 Da
• Monoisotopic Mass: 435.177 Da
• Topological Polar Surface Area: 56.600 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 733.000
• 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