3-(2-(4-(5-(3,4-dichlorobenzyl)-4-hydroxythiazol-2-yl)piperazin-1-yl)ethyl)phenylboronic acid

ID: ALA4078601

Chembl Id: CHEMBL4078601

PubChem CID: 137649608

Max Phase: Preclinical

Molecular Formula: C22H24BCl2N3O3S

Molecular Weight: 492.24

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  OB(O)c1cccc(CCN2CCN(c3nc(O)c(Cc4ccc(Cl)c(Cl)c4)s3)CC2)c1

Standard InChI:  InChI=1S/C22H24BCl2N3O3S/c24-18-5-4-16(13-19(18)25)14-20-21(29)26-22(32-20)28-10-8-27(9-11-28)7-6-15-2-1-3-17(12-15)23(30)31/h1-5,12-13,29-31H,6-11,14H2

Standard InChI Key:  ALEYRKKETTZIRR-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA4078601

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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: 492.24

Molecular Weight (Monoisotopic): 491.1008

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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