3-((E)-3-(Hydroxyamino)-3-oxoprop-1-en-1-yl)-N-(2-(((R)-3-methyl-1-((3aR,4R,6R,7aS)-5,5,7a-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborol-2-yl)butyl)amino)-2-oxoethyl)benzamide

ID: ALA4576202

Chembl Id: CHEMBL4576202

PubChem CID: 155552130

Max Phase: Preclinical

Molecular Formula: C27H38BN3O6

Molecular Weight: 511.43

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  CC(C)C[C@H](NC(=O)CNC(=O)c1cccc(/C=C/C(=O)NO)c1)B1O[C@@H]2[C@@H]3C[C@H](C[C@]2(C)O1)C3(C)C

Standard InChI:  InChI=1S/C27H38BN3O6/c1-16(2)11-21(28-36-24-20-13-19(26(20,3)4)14-27(24,5)37-28)30-23(33)15-29-25(34)18-8-6-7-17(12-18)9-10-22(32)31-35/h6-10,12,16,19-21,24,35H,11,13-15H2,1-5H3,(H,29,34)(H,30,33)(H,31,32)/b10-9+/t19-,20+,21+,24-,27+/m1/s1

Standard InChI Key:  WAKGJPYDEKJAKC-PAUPOJMRSA-N

Alternative Forms

1. Parent:

   

   ALA4576202

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Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 511.43

Molecular Weight (Monoisotopic): 511.2854

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References

1. Zhou Y, Liu X, Xue J, Liu L, Liang T, Li W, Yang X, Hou X, Fang H..  (2020)  Discovery of Peptide Boronate Derivatives as Histone Deacetylase and Proteasome Dual Inhibitors for Overcoming Bortezomib Resistance of Multiple Myeloma.,  63  (9): [PMID:32267687] [10.1021/acs.jmedchem.9b02161]

Source

Source(1):

• Scientific Literature