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DB-310

CAT: 0013-GTR19210341-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210341-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DB-310 is a potent and selective small molecule inhibitor of the immunoproteasome subunit LMP2 (PSMB9) . It is a research tool for studying proteasome function in neurodegenerative models, with applications in both in vitro biochemical assays and in vivo studies relevant to Alzheimer's disease pathogenesis.
CAS Number
2338531-17-0
Smiles
C ([C@@H] (NC ([C@@H] (NC (=O) [C@H]1N (C (CNC (=O) C=2C=NC=CN2) =O) CCC1) CC3=CC=CC=C3) =O) CC (C) C) (=O) [C@@]4 (C) CO4
Molecular Formula
C30H38N6O6
Molecular Weight
578.66
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[2-[(2S)-2-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazine-2-carboxamide
CAS Number2338531-17-0
PubChem CID138665204
IUPAC NameN-[2-[(2S)-2-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazine-2-carboxamide
Molecular FormulaC30H38N6O6
Molecular Weight578.7
XLogP1.5
Topological Polar Surface Area163
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Heavy Atom Count42
Formal Charge0
Complexity1000
SMILES
CC(C)C[C@@H](C(=O)[C@]1(CO1)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]3CCCN3C(=O)CNC(=O)C4=NC=CN=C4
InChI
InChI=1S/C30H38N6O6/c1-19(2)14-21(26(38)30(3)18-42-30)34-28(40)22(15-20-8-5-4-6-9-20)35-29(41)24-10-7-13-36(24)25(37)17-33-27(39)23-16-31-11-12-32-23/h4-6,8-9,11-12,16,19,21-22,24H,7,10,13-15,17-18H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)/t21-,22-,24-,30+/m0/s1
InChIKey
UUQDSBNKBWJJPD-PFNDQIBQSA-N
Chemical Structure
2D Structure
2D structure of N-[2-[(2S)-2-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazine-2-carboxamide
CAS: 2338531-17-0
CID: 138665204
Formula: C30H38N6O6
MW: 578.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight578.7
XLogP31.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Exact Mass578.28528295
Monoisotopic Mass578.28528295
Topological Polar Surface Area163 Ų
Heavy Atom Count42
Formal Charge0
Complexity1000
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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