4-(3-(4-(5-(3,4-dichlorobenzyl)-4-hydroxythiazol-2-yl)piperidin-1-yl)propyl)phenylboronic acid

ID: ALA4095125

Chembl Id: CHEMBL4095125

PubChem CID: 137655460

Max Phase: Preclinical

Molecular Formula: C24H27BCl2N2O3S

Molecular Weight: 505.28

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  OB(O)c1ccc(CCCN2CCC(c3nc(O)c(Cc4ccc(Cl)c(Cl)c4)s3)CC2)cc1

Standard InChI:  InChI=1S/C24H27BCl2N2O3S/c26-20-8-5-17(14-21(20)27)15-22-23(30)28-24(33-22)18-9-12-29(13-10-18)11-1-2-16-3-6-19(7-4-16)25(31)32/h3-8,14,18,30-32H,1-2,9-13,15H2

Standard InChI Key:  ZMZYMVIKMFQKCX-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA4095125

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Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 505.28

Molecular Weight (Monoisotopic): 504.1212

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References

1. Lanier M, Cole DC, Istratiy Y, Klein MG, Schwartz PA, Tjhen R, Jennings A, Hixon MS..  (2017)  Repurposing Suzuki Coupling Reagents as a Directed Fragment Library Targeting Serine Hydrolases and Related Enzymes.,  60  (12): [PMID:28564542] [10.1021/acs.jmedchem.6b01224]

Source

Source(1):

• Scientific Literature