772-38-3 | 4-(tert-Butyl)phenylacetylene

Packsize	Purity	Availability	Price	Discounted Price
1g	97%	in stock	$8.00	$6.00
5g	97%	in stock	$29.00	$21.00
10g	97%	in stock	$55.00	$39.00
25g	97%	in stock	$86.00	$60.00

Description

• Catalog Number: AB56776
• Chemical Name: 4-(tert-Butyl)phenylacetylene
• CAS Number: 772-38-3
• Molecular Formula: C12H14
• Molecular Weight: 158.23956
• MDL Number: MFCD00190197
• SMILES: C#Cc1ccc(cc1)C(C)(C)C

Computed Properties

• Complexity: 178
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Rotatable Bond Count: 2
• XLogP3: 3.8

Literature

• Thr302 is the site for the covalent modification of human cytochrome P450 2B6 leading to mechanism-based inactivation by tert-butylphenylacetylene.

  Drug metabolism and disposition: the biological fate of chemicals 20111201

• Structural analysis of mammalian cytochrome P450 2B4 covalently bound to the mechanism-based inactivator tert-butylphenylacetylene: insight into partial enzymatic activity.

  Biochemistry 20110607

• Targeting of the highly conserved threonine 302 residue of cytochromes P450 2B family during mechanism-based inactivation by aryl acetylenes.

  Archives of biochemistry and biophysics 20110301

• Covalent modification of Thr302 in cytochrome P450 2B1 by the mechanism-based inactivator 4-tert-butylphenylacetylene.

  The Journal of pharmacology and experimental therapeutics 20100601

• Defining the structural consequences of mechanism-based inactivation of mammalian cytochrome P450 2B4 using resonance Raman spectroscopy.

  Journal of the American Chemical Society 20100210

• Mechanism-based inactivation of CYP2B1 and its F-helix mutant by two tert-butyl acetylenic compounds: covalent modification of prosthetic heme versus apoprotein.

  The Journal of pharmacology and experimental therapeutics 20091101

• tert-Butylphenylacetylene is a potent mechanism-based inactivator of cytochrome P450 2B4: inhibition of cytochrome P450 catalysis by steric hindrance.

  Molecular pharmacology 20091101