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Arginase inhibitor 1

CAS No.:
1345808-25-4
Catalog Number:
AG009C91
Molecular Formula:
C13H27BN2O4
Molecular Weight:
286.1755
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$457
- +
10mg
98%
1 week
United States
$757
- +
50mg
98%
1 week
United States
$2723
- +
100mg
98%
1 week
United States
$4390
- +
Product Description
Catalog Number:
AG009C91
Chemical Name:
Arginase inhibitor 1
CAS Number:
1345808-25-4
Molecular Formula:
C13H27BN2O4
Molecular Weight:
286.1755
MDL Number:
MFCD28167713
IUPAC Name:
(2R)-2-amino-6-borono-2-(2-piperidin-1-ylethyl)hexanoic acid
InChI:
InChI=1S/C13H27BN2O4/c15-13(12(17)18,6-2-3-8-14(19)20)7-11-16-9-4-1-5-10-16/h19-20H,1-11,15H2,(H,17,18)/t13-/m1/s1
InChI Key:
CHPILBYRQPOXMV-CYBMUJFWSA-N
SMILES:
OB(CCCC[C@](C(=O)O)(CCN1CCCCC1)N)O
Properties
Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
286.206g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
286.179g/mol
Monoisotopic Mass:
286.206g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Discovery of (R)-2-amino-6-borono-2-(2-(piperidin-1-yl)ethyl)hexanoic acid and congeners as highly potent inhibitors of human arginases I and II for treatment of myocardial reperfusion injury. Journal of medicinal chemistry 20130328
Properties