N-Methylindole-5-boronic acid
Product Information
Molecular Formula
C9H10BNO2
Molecular Weight
174.99
Description
N-Methylindole-5-boronic acid is a profoundly significant compound predominantly employed in the domain of biomedicine and presents remarkable prospects pertaining to pharmacological advancement against diverse ailments, comprising neoplastic conditions and inflammation. Its chemical composition, uniquely distinct and idiosyncratic in nature, unveils auspicious avenues for the scientific populace to embark upon groundbreaking investigations and the unearthing of pioneering therapeutic modalities.
Synonyms
1-Methylindole-5-boronic acid; N-Methylindole-5-boronic acid; 1-Methyl-1H-indole-5-boronic acid; n-methylindol-5-boronic acid; (1-methyl-1H-indol-5-yl)boronic acid; (1-methylindol-5-yl)boronic Acid; 1-methyl-1H-indol-5-ylboronic acid; 1-methyl-5-indoleboronic acid; Boronic acid, (1-methyl-1H-indol-5-yl)-; 1-Methyl-5-indolylboronic acid; 1-Methylindole-5-boronicacid; 1-n-methylindole-5-boronic acid; Boronic acid,B-(1-methyl-1H-indol-5-yl)-; Boronic acid, B-(1-methyl-1H-indol-5-yl)-; N-Methylndole-5-boronc acd; 1-methyl-1h-indole-5-boronic; N-methyl indole-5-boronic acid; N-methyl-indole-5-boronic acid; 1-methyl-5-indole boronic acid; 1-methyl-5-indolyl boronic acid
IUPAC Name
(1-methylindol-5-yl)boronic acid
SMILES
B(C1=CC2=C(C=C1)N(C=C2)C)(O)O
InChI
InChI=1S/C9H10BNO2/c1-11-5-4-7-6-8(10(12)13)2-3-9(7)11/h2-6,12-13H,1H3
InChI Key
SYWDZJWBRYIJJB-UHFFFAOYAX
Flash Point
Not applicable
Purity
95%
Safety Information
Hazards
H315 - H318 - H335
Precautionary Statement
P261 - P280 - P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
175.0804587 g/mol
Monoisotopic Mass
175.0804587 g/mol
Topological Polar Surface Area
45.4Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
189
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 |
|---|---|---|
| CN-113493407-A | Pyridine compound and preparation method and pharmaceutical application thereof | 2020-04-03 |
| US-2021167321-A1 | Inorganic light emitting diode and inorganic light emitting device including the same | 2019-11-28 |
| CN-110551104-A | Benzo five-membered nitrogen heterocyclic derivative and application thereof | 2019-08-30 |
| KR-20200138086-A | 1,3,4-Oxadiazole Derivative Compounds as Histone Deacetylase 6 Inhibitor, and the Pharmaceutical Composition Comprising the same | 2019-05-31 |
| WO-2020240492-A1 | 1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same | 2019-05-31 |
| TW-202110828-A | 1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same | 2019-05-31 |
| AU-2020284167-A1 | 1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same | 2019-05-31 |
| CN-113924296-A | 1,3, 4-oxadiazole derivative compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same | 2019-05-31 |
| US-2020102303-A1 | Monoacylglycerol Lipase Modulators | 2018-09-28 |
| TW-202028198-A | Monoacylglycerol lipase modulators | 2018-09-28 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 22927359 | 2012-09-17 | Total synthesis of indole-derived allocolchicine analogues exhibiting strong apoptosis-inducing activity | Chemistry (Weinheim an der Bergstrasse, Germany) |
