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
Canonical 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)
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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