N-[5-methyl-2-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethoxy]phenyl]-3-phenylpropanamide

ID: ALA4588395

Chembl Id: CHEMBL4588395

PubChem CID: 155567227

Max Phase: Preclinical

Molecular Formula: C30H36BNO4

Molecular Weight: 485.43

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  Cc1ccc(OCCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c(NC(=O)CCc2ccccc2)c1

Standard InChI:  InChI=1S/C30H36BNO4/c1-22-11-17-27(26(21-22)32-28(33)18-14-23-9-7-6-8-10-23)34-20-19-24-12-15-25(16-13-24)31-35-29(2,3)30(4,5)36-31/h6-13,15-17,21H,14,18-20H2,1-5H3,(H,32,33)

Standard InChI Key:  WMRDSHWCNDCBEJ-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA4588395

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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: 485.43

Molecular Weight (Monoisotopic): 485.2737

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References

1. Palmer JE, Brietske BM, Bate TC, Blackwood EA, Garg M, Glembotski CC, Cooley CB..  (2020)  Reactive Oxygen Species (ROS)-Activatable Prodrug for Selective Activation of ATF6 after Ischemia/Reperfusion Injury.,  11  (3): [PMID:32184959] [10.1021/acsmedchemlett.9b00299]

Source

Source(1):

• Scientific Literature