6-(4-Tert-butylphenoxy)pyridin-3-amine

Base Information

• Chemical Name: 6-(4-Tert-butylphenoxy)pyridin-3-amine
• CAS No.: 218457-67-1
• Molecular Formula: C₁₅H₁₈N₂O
• Molecular Weight: 242.321
• Hs Code.: 2933399090
• European Community (EC) Number: 813-289-0
• UNII: Q5BB91JL0V
• DSSTox Substance ID: DTXSID00370659
• Wikidata: Q82157786
• NCI Thesaurus Code: C175580
• Metabolomics Workbench ID: 155390
• ChEMBL ID: CHEMBL1420319
• Mol file: 218457-67-1.mol

Synonyms:218457-67-1;CB-103;5-Amino-2-(4-tert-butylphenoxy)pyridine;6-(4-tert-butylphenoxy)pyridin-3-amine;6-(4-(tert-Butyl)phenoxy)pyridin-3-amine;6-[4-(tert-butyl)phenoxy]pyridin-3-amine;Q5BB91JL0V;MLS000833648;CB103;5-Amino-2-(4-tertbutylphenoxy)pyridine;6-(4-tert-butylphenoxy)-3-pyridinamine;SMR000457169;6-(4-(1,1-Dimethylethyl)phenoxy)-3-pyridinamine;3-Pyridinamine, 6-(4-(1,1-dimethylethyl)phenoxy)-;Maybridge1_001148;UNII-Q5BB91JL0V;Oprea1_231562;SCHEMBL4638726;CHEMBL1420319;BDBM87327;cid_2735289;GTPL10517;HMS544M04;DTXSID00370659;REGID_for_CID_2735289;HMS2787I06;EX-A4302;MFCD00052647;NSC823659;s9719;AKOS000264357;CCG-233915;DB15279;NSC-823659;PS-7558;AC-36572;[6-(4-tert-butylphenoxy)-3-pyridyl]amine;HY-135145;5-Amino-2-[4-(tert-butyl)phenoxy]pyridine;CS-0109594;FT-0620888;E80260;A815692;3-[(1H-PYRROLE-2-CARBONYL)-AMINO]PROPIONICACID;6-(4-(1,1-Dimethylethyl)phenoxy)-3-pyridinamine [WHO-DD]

Chemical Property of 6-(4-Tert-butylphenoxy)pyridin-3-amine

Chemical Property:

• Vapor Pressure: 2.01E-06mmHg at 25°C
• Melting Point: 89-90
• Refractive Index: 1.574
• Boiling Point: 394.2°Cat760mmHg
• Flash Point: 192.2°C
• PSA: 48.14000
• Density: 1.09g/cm³
• LogP: 4.33480
• Storage Temp.: 2-8°C
• Solubility.: Soluble in DMSO (>30 mg/ml)
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 242.141913202
• Heavy Atom Count: 18
• Complexity: 254

Purity/Quality:

98%min ^*data from raw suppliers

5-Amino-2-(4-tert-butylphenoxy)pyridine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)OC2=NC=C(C=C2)N
• Recent ClinicalTrials: Phase II Study to Evaluate Safety and Efficacy of CB-103 With Venetoclax in Adolescent and Young Adult Patients With Relapsed/Refractory T-ALL or T-LBL
• Recent EU Clinical Trials: A Phase I/IIA, Multi-Centre, Open-Label, Dose-Escalation Study with Expansion Arms to Assess the Safety, Tolerability, Pharmacokinetics and Preliminary Efficacy of CB-103 Administered Orally in Adult Patients with Advanced or Metastatic Solid Tumours and Haematological Malignancies Characterised by Alterations of the NOTCH Signalling Pathway
• Description: CB-103 (218457-67-1) is an orally active inhibitor of the Notch signaling activation complex (IC50’s from 0.9 to 3.9 μM in various cell-based assays), the most downstream level of the Notch signaling pathway. It inhibited the growth of Notch-addicted human T cell acute lymphoblastic leukemia cells as well as other cell lines.? CB-103 also inhibited the growth of human breast cancer and leukemia xenografts without the intestinal toxicity associated with γ-secretase Notch inhibitors.