Isoquinoline-5-boronic Acid
Product Information
Molecular Formula
C9H8NO2B
Molecular Weight
172.98
Description
Isoquinoline-5-boronic Acid (CAS# 371766-08-4) is a useful research chemical.
Synonyms
5-isoquinolinylboronic acid; isoquinolin-5-ylboronic acid
IUPAC Name
isoquinolin-5-ylboronic acid
SMILES
B(C1=C2C=CN=CC2=CC=C1)(O)O
InChI
InChI=1S/C9H8BNO2/c12-10(13)9-3-1-2-7-6-11-5-4-8(7)9/h1-6,12-13H
InChI Key
XKEYHBLSCGBBGU-UHFFFAOYSA-N
Boiling Point
435.6 °C at 760 mmHg
Melting Point
166-188 °C
Purity
≥ 95.0 %
Density
1.28 g/cm3
Appearance
Solid
Storage
2-8 °C
LogP
-0.08540
Safety Information
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
173.0648087 g/mol
Monoisotopic Mass
173.0648087 g/mol
Topological Polar Surface Area
53.4Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
177
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| WO-2022047347-A1 | Protein secretion inhibitors | 2020-08-31 |
| CN-113968855-A | Compound for treating thrombotic diseases | 2020-07-24 |
| WO-2022017531-A1 | Compound for treating thrombotic diseases | 2020-07-24 |
| WO-2021263278-A1 | Rev-erb agonists for the treatment of th17-mediated inflammatory disorders | 2020-06-23 |
| WO-2021216757-A1 | Rna-binding protein multimerization inhibitors and methods of use thereof | 2020-04-21 |
| WO-2021189036-A1 | Taf1 inhibitors | 2020-03-20 |
| US-2021269434-A1 | Tricyclic compounds as inhibitors of kras | 2020-01-10 |
| WO-2021142252-A1 | Tricyclic compounds as inhibitors of kras | 2020-01-10 |
| WO-2021096589-A1 | Small molecules polymerase inhibitors | 2019-11-15 |
| WO-2021064186-A1 | Novel pyridin-2(1h)one derivatives, their preparation and their use for the treatment of pain | 2019-10-04 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 22272238 | 2012-01-01 | Non inflammatory boronate based glucose-responsive insulin delivery systems | PloS one |
