170230-87-2

Basic information

• Product Name: 4-AMINO-3-ETHYLBENZONITRILE
• Synonyms: BUTTPARK 13\03-08;4-AMINO-3-ETHYLBENZONITRILE;4-Cyano-2-ethylaniline;Benzonitrile, 4-amino-3-ethyl- (9CI);4-Amino-3-Ethylbenzontrile
• CAS NO: 170230-87-2
• Molecular Formula: C₉H₁₀N₂
• Molecular Weight: 146.19
• EINECS: -0
• Product Categories: NITRILE
• Mol File: 170230-87-2.mol

Chemical Properties

• Melting Point: 58-61°C
• Boiling Point: 297.1 °C at 760 mmHg
• Flash Point: 133.5 °C
• Appearance: /
• Density: 1.07 g/cm³
• Vapor Pressure: 0.00138mmHg at 25°C
• Refractive Index: 1.562
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• PKA: 1.49±0.10(Predicted)
• BRN: 7526452
• CAS DataBase Reference: 4-AMINO-3-ETHYLBENZONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-AMINO-3-ETHYLBENZONITRILE(170230-87-2)
• EPA Substance Registry System: 4-AMINO-3-ETHYLBENZONITRILE(170230-87-2)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 20/21/22-22
• Safety Statements: 22-36/37/39
• RIDADR: 3276
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 170230-87-2(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
4-Amino-3-ethylbenzonitrile is used as a reactant in the synthesis of dihydropyrrolepyridines, which are CRF-1 antagonists. CRF-1 antagonists are a class of drugs that block the action of corticotropin-releasing factor (CRF), a hormone involved in the stress response. These antagonists have potential therapeutic applications in the treatment of stress-related disorders, such as anxiety, depression, and post-traumatic stress disorder (PTSD). By inhibiting the action of CRF, dihydropyrrolepyridines can help alleviate the symptoms of these conditions and improve the overall well-being of patients.

InChI:InChI=1/C9H10N2/c1-2-8-5-7(6-10)3-4-9(8)11/h3-5H,2,11H2,1H3

Upstream product

• 34921-76-1 N-(4-cyano-2-ethyl-phenyl)-acetamide 
• 578-54-1 ortho-ethylaniline 
• 33098-65-6 2-acetamido-1-ethylbenzene 
• 51688-73-4 N-(4-bromo-2-ethylphenyl)acetamide 

Downstream Products

• 173668-38-7 4-(3,4-Dioxo-2-ethoxy-cyclobut-1-enylamino)-3-ethyl-benzonitrile 
• 959694-33-8 4-cyano-2-ethylphenyl isocyanate 
• 403839-15-6 4-[[(3-Chloro-4-methoxyphenyl)methyl]amino]-6-cyano-8-ethylquinoline-3-carboxylic acid pentafluorophenyl ester 
• 177476-74-3 (+)-(R)-4-[3,4-dioxo-2-(1,2,2-trimethyl-propylamino)-cyclobut-1-enylamino]-3-ethyl-benzonitrile 
• 285124-08-5 4-cyano-2-ethylphenyl isothiocyanate 
• 549521-37-1 4-[3-(1,1-dimethyl-propyl)-4,5-dioxo-2-thioxo-imidazolidin-1-yl]-3-ethyl-benzonitrile 
• 170230-29-2 4‐bromo‐3‐ethylbenzonitrile 
• 1034688-90-8 3-ethyl-4-(1-piperidinyl)benzonitrile 
• 1034688-97-5 3-ethyl-4-iodobenzonitrile 
• 267875-55-8 3-methyl-1H-indazole-5-carbonitrile 
• 727993-17-1 4-({3-(2-{[(1,1-dimethylethyl)(dimethyl)silyl]oxy}ethyl)-6-methyl-4-[3-(1,3-thiazol-2-yl)-1H-pyrazol-1-yl]-2-pyridinyl}amino)-3-ethylbenzonitrile 
• 202522-04-1 3-ethyl-4-formylbenzonitrile 
• 202522-03-0 3-ethyl-4-(hydroxymethyl)benzonitrile 

Relevant articles and documents

Tandem optimization of target activity and elimination of mutagenic potential in a potent series of N-aryl bicyclic hydantoin-based selective androgen receptor modulators

Pharmacokinetic studies in cynomolgus monkeys with a novel prototype selective androgen receptor modulator revealed trace amounts of an aniline fragment released through hydrolytic metabolism. This aniline fragment was determined to be mutagenic in an Ames assay. Subsequent concurrent optimization for target activity and avoidance of mutagenicity led to the identification of a pharmacologically superior clinical candidate without mutagenic potential.