1943-67-5

Basic information

• Product Name: 4-TERT-BUTYLPHENYL ISOCYANATE
• Synonyms: 1-TERT-BUTYL-4-ISOCYANATOBENZENE;4-TERT-BUTYLPHENYL ISOCYANATE;4-(tert-Butyl)phenylisocyanate97%
• CAS NO: 1943-67-5
• Molecular Formula: C₁₁H₁₃NO
• Molecular Weight: 175.23
• Product Categories: Isocyanates;Nitrogen Compounds;Organic Building Blocks
• Mol File: 1943-67-5.mol
• Article Data: 12

Chemical Properties

• Boiling Point: 236-237 °C(lit.)
• Flash Point: 210 °F
• Appearance: /
• Density: 0.986 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.0612mmHg at 25°C
• Refractive Index: n20/D 1.5190(lit.)
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 4-TERT-BUTYLPHENYL ISOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-TERT-BUTYLPHENYL ISOCYANATE(1943-67-5)
• EPA Substance Registry System: 4-TERT-BUTYLPHENYL ISOCYANATE(1943-67-5)

Safety Data

• Hazard Codes: Xn,T
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36
• RIDADR: 2206
• WGK Germany: 3
• Hazardous Substances Data: 1943-67-5(Hazardous Substances Data)

Usage

Uses

4-tert-butylphenyl isocyanate may be used in the synthesis of N-(4-tert-butylphenyl)-5-[(4-fluorophenyl)sulfamoyl]-1,3-dihydro-2H-isoindole-2-carboxamide.

InChI:InChI=1/C11H13NO/c1-11(2,3)9-4-6-10(7-5-9)12-8-13/h4-7H,1-3H3

Upstream product

• 116-16-5 1,1,1,3,3,3-hexachloro-propan-2-one 
• 769-92-6 4-tert-Butylaniline 
• 530-62-1 1,1'-carbonyldiimidazole 
• 63429-97-0 N-(4-(tert-butyl)phenyl)formamide 
• 32315-10-9 bis(trichloromethyl) carbonate 
• 201230-82-2 carbon monoxide 
• 3282-56-2 4-tert-butylnitrobenzene 

Downstream Products

• 1037077-87-4 C₅₁H₅₇N₅O₂ 
• 1132644-77-9 C₂₄H₂₈BrN₃O₂ 
• 1132644-62-2 C₃₀H₃₃N₃O₂ 
• 1132644-60-0 C₃₀H₃₃N₃O₂ 
• 1220691-81-5 C₃₁H₃₇N₃O₂ 
• 1260495-80-4 C₁₈H₂₆N₄O 
• 1582273-30-0 butyl (4-(tert-butyl)phenyl)carbamate 
• 1582273-36-6 isopropyl (4-(tert-butyl)phenyl)carbamate 
• 1035558-16-7 1-(4-tert-butyl-phenyl)-3-{4-[2-(3-hydroxy-propylamino)-pyrimidin-4-yloxy]-phenyl}-urea 

Relevant articles and documents

Discovery of SP-96, the first non-ATP-competitive Aurora Kinase B inhibitor, for reduced myelosuppression

Aurora Kinase B is a serine-threonine kinase known to be overexpressed in several cancers, with no inhibitors approved for clinical use. Herein, we present the discovery and optimization of a series of novel quinazoline-based Aurora Kinase B inhibitors. The lead inhibitor SP-96 shows sub-nanomolar potency in Aurora B enzymatic assays (IC50 = 0.316 ± 0.031 nM). We identified the important pharmacophore features resulting in selectivity against receptor tyrosine kinases. Particularly, SP-96 shows >2000 fold selectivity against FLT3 and KIT which is important for normal hematopoiesis. This could diminish the adverse effect of neutropenia reported in the clinical trials of the Aurora B inhibitor Barasertib, which inhibits FLT3 and KIT in addition to Aurora B. Enzyme kinetics of SP-96 shows non-ATP-competitive inhibition which makes it a first-in-class inhibitor. Further, SP-96 shows selective growth inhibition in NCI60 screening, including inhibition of MDA-MD-468, a Triple Negative Breast Cancer cell line.

Discovery of novel anti-angiogenesis agents. Part 8: Diaryl thiourea bearing 1H-indazole-3-amine as multi-target RTKs inhibitors

VEGFR-2, TIE-2, and EphB4 are essential for both angiogenesis and tumorigenesis. Herein, we designed and prepared three classes of multi-target inhibitors based on the extensive sequence homology along the kinase domain of angiogenic RTKs. Biological evaluation indicated that these multi-target inhibitors exhibited considerable potential as novel anti-angiogeneic and anticancer agents. Among them, a diaryl thiourea bearing 1H-indazole-3-amine (16a) displayed the most potent RTK inhibition and excellent selectivity. It also showed inhibition on viability of human umbilical vein endothelial cells and anti-proliferation against a broad spectrum of cancer cells. Therefore, 1H-indazole-3-amine could serve as a promising hinge binding group for multi-target inhibitors of VEGFR-2, Tie-2, and EphB4.

With anti-tumor effect of a quinazoline-urea derivative and its application (by machine translation)

The present invention relates to a of the general formula (II) anti-tumor function of said quinazoline-urea derivative and its application. The definition of the substituent in the general formula (II) in the specification. This invention, in order to SUO draw non-Buddhist nun and Geftinat compounds as the precursor, retention of SUO draw non-Buddhist nun the pharmocology-carbamido; at the same time, such as in reserved [...] EGFR-TKIs Geftinat, synthesis, and obtain a series of quinazoline-urea derivatives, by the in vitro activity tests, some compounds exhibit excellent anti-tumor activity, such derivatives have high research and utility value. (II). (by machine translation)