MYCi975 - ≥98% , CAS No.2289691-01-4

CAS: 2289691-01-4 Cat. No.: M414261 Formula: C₂₅H₁₆Cl₂F₆N₂O₂ Molecular Weight: 561.3

GRADE & PURITY ≥98%

Synonyms

NUCC-0200975[1,​1'-​Biphenyl]​-​2-​ol,4'-​chloro-​6-​[(4-​chlorophenyl)​methoxy]​-​3-​[1-​methyl-​3-​(trifluoromethyl)​-​1H-​pyrazol-​5-​yl]​-​3'-​(trifluoromethyl)​-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

MYCi975 MYCi975 is an orally active inhibitor of MYC that disrupts MYC/MAX interaction, promotes MYC T58 phosphorylation and MYC degradation, and impairs MYC driven gene expression. MYCi975 exhibits potent anti-tumor activities.

Targets

MYC

In vitro

MYCi975 localizes to the same region of the MYC protei. Treatment of cells with MYCi975 enhances MYC degradation and phosphorylation on T58. MYCi975 also directly increases GSK3b-mediated MYC pT58 in the in vitro kinase assay.

In vivo

MYCi975 suppresses in vivo tumor growth in mice, increases tumor immune cell infiltration, upregulates PD-L1 on tumors, and sensitizes tumors to anti-PD1 immunotherapy with good tolerability.

Cell Research(from reference)

Cell lines：MycCaP, PC3, LNCaP, PC12, MV411, SK-N-BE (2), 293T, P493-6 B cells, LLC1 cells, TGR-1, HO15.19 Rat-1 cells 

Concentrations：3-25 μM, 8 μM, 6 μM 

Incubation Time：24 h 

Specifications

Synonyms

NUCC-0200975[1,​1'-​Biphenyl]​-​2-​ol,4'-​chloro-​6-​[(4-​chlorophenyl)​methoxy]​-​3-​[1-​methyl-​3-​(trifluoromethyl)​-​1H-​pyrazol-​5-​yl]​-​3'-​(trifluoromethyl)​-

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

MYCi975 (NUCC-0200975) is a potent, selective and orally active inhibitor of MYC that disrupts MYC/MAX interaction, promotes MYC T58 phosphorylation and MYC degradation, and impairs MYC driven gene expression. MYCi975 exhibits potent anti-tumor activities

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Product Properties

alogp

8.775

hba_count

2

hbd_count

1

rotatable_bond

7

Names and Identifiers

Pubchem Sid

504773570

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504773570

Canonical Smiles

CN1C(=CC(=N1)C(F)(F)F)C2=C(C(=C(C=C2)OCC3=CC=C(C=C3)Cl)C4=CC(=C(C=C4)Cl)C(F)(F)F)O

IUPAC Name

3-[(4-chlorophenyl)methoxy]-2-[4-chloro-3-(trifluoromethyl)phenyl]-6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol

InChIKey

VSDFDVBYONIJLD-UHFFFAOYSA-N

INCHI

1S/C25H16Cl2F6N2O2/c1-35-19(11-21(34-35)25(31,32)33)16-7-9-20(37-12-13-2-5-15(26)6-3-13)22(23(16)36)14-4-8-18(27)17(10-14)24(28,29)30/h2-11,36H,12H2,1H3

Molecular Weight

561.3

Reaxy-Rn

35873051

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35873051&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorinated biphenyls
• Alternative Parents: Trifluoromethylbenzenes Phenoxy compounds Phenol ethers Chlorobenzenes Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Heteroaromatic compounds Azoles Vinyl chlorides Hydrazones Chloroalkenes Azacyclic compounds Organopnictogen compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Chlorinated biphenyl - Trifluoromethylbenzene - Phenoxy compound - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Halobenzene - Chlorobenzene - Alkyl aryl ether - Heteroaromatic compound - Azole - Azacycle - Chloroalkene - Haloalkene - Organoheterocyclic compound - Vinyl halide - Vinyl chloride - Hydrazone - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as chlorinated biphenyls. These are organic compounds containing at least one chlorine atom attached to either benzene ring of the biphenyl moiety.
• External Descriptors: Not available

Data sources

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

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro DMSO: 100 mg/mL (178.15 mM); Ethanol: 60 mg/mL (106.89 mM); Water: Insoluble
• dmso_mg_max_solubility: 100
• dmso_mM_max_solubility: 178.157847853198
• water_mg_max_solubility: ＜1
• Molecular Weight: 561.300 g/mol
• XLogP3: 7.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 560.049 Da
• Monoisotopic Mass: 560.049 Da
• Topological Polar Surface Area: 47.300 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 752.000
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2289691-01-4, the molecular formula is C25H16Cl2F6N2O2, and the molecular weight is 561.3 g/mol. InChIKey VSDFDVBYONIJLD-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.