N,N-Bis(2-chloroethyl)-3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

ID: ALA4467823

Chembl Id: CHEMBL4467823

PubChem CID: 155532381

Max Phase: Preclinical

Molecular Formula: C17H26BCl2NO3

Molecular Weight: 374.12

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  COc1cc(N(CCCl)CCCl)ccc1B1OC(C)(C)C(C)(C)O1

Standard InChI:  InChI=1S/C17H26BCl2NO3/c1-16(2)17(3,4)24-18(23-16)14-7-6-13(12-15(14)22-5)21(10-8-19)11-9-20/h6-7,12H,8-11H2,1-5H3

Standard InChI Key:  NHQGBHBEVOTLKN-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA4467823

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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: 374.12

Molecular Weight (Monoisotopic): 373.1383

AlogP:

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References

1. Chen W, Fan H, Balakrishnan K, Wang Y, Sun H, Fan Y, Gandhi V, Arnold LA, Peng X..  (2018)  Discovery and Optimization of Novel Hydrogen Peroxide Activated Aromatic Nitrogen Mustard Derivatives as Highly Potent Anticancer Agents.,  61  (20): [PMID:30247905] [10.1021/acs.jmedchem.8b00559]

Source

Source(1):

• Scientific Literature