CB-103 - Moligand™, ≥98% , CAS No.218457-67-1

CAS: 218457-67-1 Cat. No.: C414475 Molecular Weight: 242.32 EC Number: 813-289-0

GRADE & PURITY Moligand™, ≥98%

Synonyms

CCG-233915 | EX-A4302 | 6-(4-(tert-Butyl)phenoxy)pyridin-3-amine | 6-(4-(1,1-Dimethylethyl)phenoxy)-3-pyridinamine [WHO-DD] | FT-0620888 | BDBM87327 | MFCD00052647 | 3-[(1H-PYRROLE-2-CARBONYL)-AMINO]PROPIONICACID | 6-(4-tert-butylphenoxy)pyridin-3-amine |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

CB-103 CB-103 is an orally active inhibitor of the Notch transcription activation complex. CB-103 produces Notch loss-of-function phenotypes in flies and mice and inhibits the growth of human breast cancer and leukemia xenografts.

Targets

Notch

In vitro

CB-103 inhibits growth of Notch-addicted human T cell acute lymphoblastic leukemia cell lines through modulation of the Notch transcription complex.

In vivo

CB-103 function in vivo recapitulates genetic notch loss-of-function phenotypes without causing gut toxicity. CB-103 blocks tumor growth of GSI-resistant cancers.

Cell Research(from reference)

Cell lines：marrow mesenchymal stroma cells (MSCs), RPMI-8402 cells 

Concentrations：10 nM to 25 μM, 1 μM 

Incubation Time：3 days, 1 h, 4 h, 24 h 

Specifications

Synonyms

CCG-233915 | EX-A4302 | 6-(4-(tert-Butyl)phenoxy)pyridin-3-amine | 6-(4-(1, 1-Dimethylethyl)phenoxy)-3-pyridinamine [WHO-DD] | FT-0620888 | BDBM87327 | MFCD00052647 | 3-[(1H-PYRROLE-2-CARBONYL)-AMINO]PROPIONICACID | 6-(4-tert-butylphenoxy)pyridin-3-amine |

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

CB-103 is an orally active inhibitor of the Notch transcription activation complex. CB-103 produces Notch loss-of-function phenotypes in flies and mice and inhibits the growth of human breast cancer and leukemia xenografts.

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.

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504761251
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761251
• Canonical Smiles: CC(C)(C)C1=CC=C(C=C1)OC2=NC=C(C=C2)N
• IUPAC Name: 6-(4-tert-butylphenoxy)pyridin-3-amine
• InChIKey: WHIWGRCYMQLLAO-UHFFFAOYSA-N
• INCHI: 1S/C15H18N2O/c1-15(2,3)11-4-7-13(8-5-11)18-14-9-6-12(16)10-17-14/h4-10H,16H2,1-3H3
• Isomeric SMILES: CC(C)(C)C1=CC=C(C=C1)OC2=NC=C(C=C2)N
• Molecular Weight: 242.32
• Reaxy-Rn: 24574688
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24574688&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diarylethers
• Alternative Parents: Phenylpropanes Phenoxy compounds Phenol ethers Aminopyridines and derivatives Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diaryl ether - Phenylpropane - Phenoxy compound - Phenol ether - Aminopyridine - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Primary amine - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
• 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

Associated Targets(Human)

POLB Tchem DNA polymerase beta (23632 Activities)

Discover Target: POLB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)

Discover Target: PIN1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

Discover Target: KDM4E

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

Discover Target: SMAD3

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GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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RAB9A Tbio Ras-related protein Rab-9A (22488 Activities)

Discover Target: RAB9A

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BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)

Discover Target: BAZ2B

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TARDBP Tchem TAR DNA-binding protein 43 (40113 Activities)

Discover Target: TARDBP

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Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

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Plasmodium berghei (192651 Activities)

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GCN5 Histone acetyltransferase GCN5 (89 Activities)

Discover Target: GCN5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Luciferin 4-monooxygenase (66902 Activities)

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TGR Thioredoxin glutathione reductase (28579 Activities)

Discover Target: TGR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SARS-CoV-2 (38078 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro DMSO: 48 mg/mL (198.08 mM); Ethanol: 48 mg/mL (198.08 mM); Water: Insoluble
• Molecular Weight: 242.320 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 242.142 Da
• Monoisotopic Mass: 242.142 Da
• Topological Polar Surface Area: 48.100 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 254.000
• 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