Home Carboxys 1,2,3,4-Tetrahydro-isoquinoline-1-carboxylic acid

1,2,3,4-Tetrahydro-isoquinoline-1-carboxylic acid

CAS No.:
41034-52-0
Catalog Number:
AG00BXBQ
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$125
- +
5g
96%
In Stock USA
United States
$438
- +
10g
96%
In Stock USA
United States
$713
- +
25g
96%
In Stock USA
United States
$1388
- +
Product Description
Catalog Number:
AG00BXBQ
Chemical Name:
1,2,3,4-Tetrahydro-isoquinoline-1-carboxylic acid
CAS Number:
41034-52-0
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
MDL Number:
MFCD01318704
IUPAC Name:
1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
InChI:
InChI=1S/C10H11NO2/c12-10(13)9-8-4-2-1-3-7(8)5-6-11-9/h1-4,9,11H,5-6H2,(H,12,13)
InChI Key:
OXFGRWIKQDSSLY-UHFFFAOYSA-N
SMILES:
OC(=O)C1NCCc2c1cccc2
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2  
Literature
Title Journal
Variation of the intercalating proline in artificial peptides mimicking the DNA binding and bending IHF protein. Amino acids 20120701
Novel (S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acids: peroxisome proliferator-activated receptor γ selective agonists with protein-tyrosine phosphatase 1B inhibition. Bioorganic & medicinal chemistry 20120115
6-Phenyl-5a,6,6a,7,12,13a-hexa-hydro-5H-benzo[6,7]indolizino[3,2-a]pyrrolizine. Acta crystallographica. Section E, Structure reports online 20090701
Therapeutic index of gramicidin S is strongly modulated by D-phenylalanine analogues at the beta-turn. Journal of medicinal chemistry 20090212
Synthesis and biological evaluation of (S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acids: a novel series of PPAR gamma agonists. Chemical & pharmaceutical bulletin 20080301
Coordination compounds based on 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid. Molecules (Basel, Switzerland) 20070521
Capillary electrophoresis for diastereomers of (R,S)-tetrahydroisoquinoline-3-carboxylic acid derivatized with (R)-4-nitro-7-(3-aminopyrrolidin-1-yl)-2,1,3-benzoxadiazole: effect of molecular geometries. Journal of chromatographic science 20050301
Modifications to the N-terminus but not the C-terminus of calcitonin gene-related peptide(8-37) produce antagonists with increased affinity. Journal of medicinal chemistry 20030605
Tetrahydroisoquinoline-3-carboxylate based matrix-metalloproteinase inhibitors: design, synthesis and structure-activity relationship. Bioorganic & medicinal chemistry 20021101
The structure of an endomorphin analogue incorporating 1-aminocyclohexane-1-carboxlylic acid for proline is similar to the beta-turn of Leu-enkephalin. Biochemical and biophysical research communications 20020913
CCK(2) receptor antagonists containing the conformationally constrained phenylalanine derivatives, including the new amino acid Xic. European journal of medicinal chemistry 20020501
Probing the shape of a hydrophobic pocket in the active site of delta-opioid antagonists. Journal of peptide science : an official publication of the European Peptide Society 20010701
Properties