(S)-(3-(((2-Amino-3-methoxy-3-oxopropyl)thio)methyl)-4-(bis(2-chloroethyl)amino)phenyl)boronic Acid

ID: ALA4443379

Chembl Id: CHEMBL4443379

PubChem CID: 146681806

Max Phase: Preclinical

Molecular Formula: C15H23BCl2N2O4S

Molecular Weight: 409.14

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  COC(=O)[C@H](N)CSCc1cc(B(O)O)ccc1N(CCCl)CCCl

Standard InChI:  InChI=1S/C15H23BCl2N2O4S/c1-24-15(21)13(19)10-25-9-11-8-12(16(22)23)2-3-14(11)20(6-4-17)7-5-18/h2-3,8,13,22-23H,4-7,9-10,19H2,1H3/t13-/m1/s1

Standard InChI Key:  XXKFRPWWVBCXSE-CYBMUJFWSA-N

Alternative Forms

1. Parent:

   

   ALA4443379

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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: 409.14

Molecular Weight (Monoisotopic): 408.0849

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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