structure of 3-Bromo-5-methoxy-1H-pyrrolo[3,2-b]pyridine

3-Bromo-5-methoxy-1H-pyrrolo[3,2-b]pyridine

CAS No.: 1000341-09-2
M. Wt: 227.058
M. Fa: C8H7BrN2O
InChI Key: HSUOJZLKCIEBLJ-UHFFFAOYSA-N
Appearance: White Solid

Names and Identifiers of 1000341-09-2

CAS Number

1000341-09-2

MDL Number

MFCD09263206

IUPAC Name

3-bromo-5-methoxy-1H-pyrrolo[3,2-b]pyridine

InChI

InChI=1S/C8H7BrN2O/c1-12-7-3-2-6-8(11-7)5(9)4-10-6/h2-4,10H,1H3

InChIKey

HSUOJZLKCIEBLJ-UHFFFAOYSA-N

Canonical SMILES

COC1=NC2=C(C=C1)NC=C2Br

UNSPSC Code

12352100

Physical and chemical properties of 1000341-09-2

Acidity coefficient

12.70±0.40(Predicted)

Boiling Point

351.7±37.0 °C at 760 mmHg

Density

1.7±0.1 g/cm3

Exact Mass

225.974167

Flash Point

166.5±26.5 °C

Index of Refraction

1.678

LogP

1.67

Molecular Formula

C8H7BrN2O

Molecular Weight

227.058

PSA

37.91000

Storage condition

2-8°C

Vapour Pressure

0.0±0.7 mmHg at 25°C

Safety Information of 1000341-09-2

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Interaction Studies of 1000341-09-2

Studies on 3-Bromo-5-methoxy-1H-pyrrolo[3,2-b]pyridine have focused on its interactions with FGFRs. The compound's ability to form hydrogen bonds and hydrophobic interactions within the receptor's binding pocket has been highlighted as crucial for its inhibitory effects. These interactions are essential for understanding its mechanism of action and optimizing its pharmacological properties .

Biological Activity of 1000341-09-2

Research indicates that 3-Bromo-5-methoxy-1H-pyrrolo[3,2-b]pyridine exhibits significant biological activity, particularly as an inhibitor of fibroblast growth factor receptors (FGFRs). These receptors are implicated in various cancers and other diseases, making this compound a candidate for therapeutic development. Its structure allows for interactions with specific binding sites within these receptors, enhancing its potential efficacy in cancer treatment .

Physical sample testing spectrum (NMR) of 1000341-09-2

Physical sample testing spectrum (NMR) of 1000341-09-2