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JHU395

CAT: 1410-M32972-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M32972-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
JHU395 is an orally-bioavailable prodrug of a lipophilic glutamine antagonist (GA), 6-diazo-5-oxo-L-norleucine (DON) . It demonstrates delivery of DON to malignant peripheral nerve sheath tumor (MPNST) both in vitro and in vivo, resulting in significant antitumor activity in MPNST. Additionally, JHU395 exhibits plasma stability.
CAS Number
2079938-92-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
447.48
Molecular Formula
C22H29N3O7
Notes
Research use only, not for human use.
Receptor
Apoptosis

Chemical Information

CID 137033613
CAS Number2079938-92-2
PubChem CID137033613
IUPAC Namepropan-2-yl (2S)-6-diazo-2-[[2,2-dimethylpropanoyloxy(phenyl)methoxy]carbonylamino]-5-oxohexanoate
Molecular FormulaC22H29N3O7
Molecular Weight447.5
XLogP3.7
Topological Polar Surface Area110
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count14
Heavy Atom Count32
Formal Charge0
Complexity718
SMILES
CC(C)OC(=O)[C@H](CCC(=O)C=[N+]=[N-])NC(=O)OC(C1=CC=CC=C1)OC(=O)C(C)(C)C
InChI
InChI=1S/C22H29N3O7/c1-14(2)30-18(27)17(12-11-16(26)13-24-23)25-21(29)32-19(15-9-7-6-8-10-15)31-20(28)22(3,4)5/h6-10,13-14,17,19H,11-12H2,1-5H3,(H,25,29)/t17-,19?/m0/s1
InChIKey
QQIBFRQTTLIECS-KKFHFHRHSA-N
Chemical Structure
2D Structure
2D structure of CID 137033613
CAS: 2079938-92-2
CID: 137033613
Formula: C22H29N3O7
MW: 447.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight447.5
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count14
Exact Mass447.20055027
Monoisotopic Mass447.20055027
Topological Polar Surface Area110 Ų
Heavy Atom Count32
Formal Charge0
Complexity718
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
S8892-25mgJHU395

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