42923-79-5 | 7-Nitro-1,2,3,4-tetrahydroisoquinoline

Packsize	Purity	Availability	Price	Discounted Price
250mg	98%	in stock	$24.00	$17.00
1g	98%	in stock	$50.00	$35.00
5g	98%	in stock	$79.00	$56.00
10g	98%	in stock	$134.00	$94.00

Description

• Catalog Number: AF58234
• Chemical Name: 7-Nitro-1,2,3,4-tetrahydroisoquinoline
• CAS Number: 42923-79-5
• Molecular Formula: C9H10N2O2
• Molecular Weight: 178.1879
• MDL Number: MFCD04973400
• SMILES: [O-][N+](=O)c1ccc2c(c1)CNCC2

Computed Properties

• Complexity: 202
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• XLogP3: 1.2

Literature

• Synthesis of 4,5,6,7-tetrahydrothieno[3,2-c]pyridines and comparison with their isosteric 1,2,3,4-tetrahydroisoquinolines as inhibitors of phenylethanolamine N-methyltransferase.

  Bioorganic & medicinal chemistry 20080101

• Enzyme adaptation to inhibitor binding: a cryptic binding site in phenylethanolamine N-methyltransferase.

  Journal of medicinal chemistry 20071004

• Exploring the active site of phenylethanolamine N-methyltransferase with 1,2,3,4-tetrahydrobenz[h]isoquinoline inhibitors.

  Bioorganic & medicinal chemistry 20070201

• Structural, mutagenic, and kinetic analysis of the binding of substrates and inhibitors of human phenylethanolamine N-methyltransferase.

  Journal of medicinal chemistry 20051117

• Exploring the active site of phenylethanolamine N-methyltransferase with 3-hydroxyethyl- and 3-hydroxypropyl-7-substituted-1,2,3,4-tetrahydroisoquinolines.

  Bioorganic & medicinal chemistry letters 20050215