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ML 604440

CAT: 1410-M10493-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M10493-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ML 604440 (ML604440, ML-604440) is a potent, specific and cell permeable proteasome β1i (LMP2) subunit inhibitor.
CAS Number
1140517-08-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
388.194
Molecular Formula
C17H24BF3N2O4
Notes
Research use only, not for human use.
Receptor
Proteasome

Chemical Information

[(1R)-3-methyl-1-[[2-methyl-2-[[2-(trifluoromethyl)benzoyl]amino]propanoyl]amino]butyl]boronic acid
CAS Number1140517-08-3
PubChem CID57655545
IUPAC Name[(1R)-3-methyl-1-[[2-methyl-2-[[2-(trifluoromethyl)benzoyl]amino]propanoyl]amino]butyl]boronic acid
Molecular FormulaC17H24BF3N2O4
Molecular Weight388.2
Topological Polar Surface Area98.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity527
SMILES
B([C@H](CC(C)C)NC(=O)C(C)(C)NC(=O)C1=CC=CC=C1C(F)(F)F)(O)O
InChI
InChI=1S/C17H24BF3N2O4/c1-10(2)9-13(18(26)27)22-15(25)16(3,4)23-14(24)11-7-5-6-8-12(11)17(19,20)21/h5-8,10,13,26-27H,9H2,1-4H3,(H,22,25)(H,23,24)/t13-/m0/s1
InChIKey
IRZZVDHGNHGNAI-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of [(1R)-3-methyl-1-[[2-methyl-2-[[2-(trifluoromethyl)benzoyl]amino]propanoyl]amino]butyl]boronic acid
CAS: 1140517-08-3
CID: 57655545
Formula: C17H24BF3N2O4
MW: 388.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass388.1781219
Monoisotopic Mass388.1781219
Topological Polar Surface Area98.7 Ų
Heavy Atom Count27
Formal Charge0
Complexity527
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

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CatalogName
HY-49070-01WAY-604440
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