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OH-Ubenimex

CAT: 0013-GTR19198797-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198797-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
OH-Ubenimex is a cell-permeable, orally bioavailable aminopeptidase inhibitor with immunomodulatory properties. It is widely used in research to study inflammation, cancer, and autoimmune diseases in both in vitro cellular assays and in vivo animal models.
CAS Number
70267-76-4
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
C (C (C (C (NC (CC (C) C) C (O) =O) =O) O) N) C1=CC=C (O) C=C1
Molecular Formula
C16H24N2O5
Molecular Weight
324.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

OH-Ubenimex
CAS Number70267-76-4
PubChem CID100062
IUPAC Name2-[[3-amino-2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-4-methylpentanoic acid
Molecular FormulaC16H24N2O5
Molecular Weight324.37
XLogP-1.3
Topological Polar Surface Area133
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count23
Formal Charge0
Complexity394
SMILES
CC(C)CC(C(=O)O)NC(=O)C(C(CC1=CC=C(C=C1)O)N)O
InChI
InChI=1S/C16H24N2O5/c1-9(2)7-13(16(22)23)18-15(21)14(20)12(17)8-10-3-5-11(19)6-4-10/h3-6,9,12-14,19-20H,7-8,17H2,1-2H3,(H,18,21)(H,22,23)
InChIKey
FRMXVEDKXFUWRZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of OH-Ubenimex
CAS: 70267-76-4
CID: 100062
Formula: C16H24N2O5
MW: 324.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.37
XLogP3-1.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass324.16852187
Monoisotopic Mass324.16852187
Topological Polar Surface Area133 Ų
Heavy Atom Count23
Formal Charge0
Complexity394
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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