574013-66-4 | methyl (2E)-3-{3-[N-({4-[4-(dimethylamino)phenyl]phenyl}methyl)cyclohexaneamido]phenyl}prop-2-enoate

Packsize	Purity	Availability	Price	Discounted Price
1mg	98%	in stock	$42.00	$29.00
25mg	98%	in stock	$130.00	$91.00
100mg	98%	in stock	$380.00	$266.00
250mg	98%	in stock	$888.00	$622.00
1g	98%	in stock	$2,664.00	$1,865.00

Description

• Catalog Number: AB50942
• Chemical Name: methyl (2E)-3-{3-[N-({4-[4-(dimethylamino)phenyl]phenyl}methyl)cyclohexaneamido]phenyl}prop-2-enoate
• CAS Number: 574013-66-4
• Molecular Formula: C32H36N2O3
• Molecular Weight: 496.6398
• MDL Number: MFCD09971007
• SMILES: COC(=O)/C=C/c1cccc(c1)N(C(=O)C1CCCCC1)Cc1ccc(cc1)c1ccc(cc1)N(C)C

Computed Properties

• Complexity: 743
• Covalently-Bonded Unit Count: 1
• Defined Bond Stereocenter Count: 1
• Heavy Atom Count: 37
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• XLogP3: 6.9

Literature

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• The farnesoid X receptor FXRalpha/NR1H4 acquired ligand specificity for bile salts late in vertebrate evolution.

  American journal of physiology. Regulatory, integrative and comparative physiology 20070901

• 3D-QSAR studies with the aid of molecular docking for a series of non-steroidal FXR agonists.

  Bioorganic & medicinal chemistry letters 20070415

• The farnesoid X receptor: a novel drug target?

  Expert opinion on investigational drugs 20040901

• A chemical, genetic, and structural analysis of the nuclear bile acid receptor FXR.

  Molecular cell 20030401

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