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Arginase inhibitor 1

CAT: 0957-E1337Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0957-E1337Size:1 mg
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Description
Arginase inhibitor 1 is a potent inhibitor of human arginases I and II with IC50s of 223 and 509 nM, respectively.
CAS Number
1345808-25-4

Chemical Information

Arginase inhibitor 1
CAS Number1345808-25-4
PubChem CID66833213
IUPAC Name(2R)-2-amino-6-borono-2-(2-piperidin-1-ylethyl)hexanoic acid
Molecular FormulaC13H27BN2O4
Molecular Weight286.18
Topological Polar Surface Area107
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count20
Formal Charge0
Complexity298
SMILES
B(CCCC[C@@](CCN1CCCCC1)(C(=O)O)N)(O)O
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
InChIKey
CHPILBYRQPOXMV-CYBMUJFWSA-N
Chemical Structure
2D Structure
2D structure of Arginase inhibitor 1
CAS: 1345808-25-4
CID: 66833213
Formula: C13H27BN2O4
MW: 286.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight286.18
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass286.2063875
Monoisotopic Mass286.2063875
Topological Polar Surface Area107 Ų
Heavy Atom Count20
Formal Charge0
Complexity298
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes