structure of 3-Iodo-5-methyl-1H-pyrrolo[3,2-b]pyridine

3-Iodo-5-methyl-1H-pyrrolo[3,2-b]pyridine

CAS No.: 1000343-70-3
M. Wt: 258.059
M. Fa: C8H7IN2
InChI Key: GDIZDNULTIJUGM-UHFFFAOYSA-N
Appearance: Yellow-brown Solid

Names and Identifiers of 1000343-70-3

CAS Number

1000343-70-3

MDL Number

MFCD09880091

IUPAC Name

3-iodo-5-methyl-1H-pyrrolo[3,2-b]pyridine

InChI

InChI=1S/C8H7IN2/c1-5-2-3-7-8(11-5)6(9)4-10-7/h2-4,10H,1H3

InChIKey

GDIZDNULTIJUGM-UHFFFAOYSA-N

Canonical SMILES

CC1=NC2=C(C=C1)NC=C2I

UNSPSC Code

12352100

Physical and chemical properties of 1000343-70-3

Boiling Point

353.3±37.0 °C at 760 mmHg

Density

1.9±0.1 g/cm3

Exact Mass

257.965393

Flash Point

167.5±26.5 °C

Index of Refraction

1.750

LogP

1.92

Molecular Formula

C8H7IN2

Molecular Weight

258.059

PSA

28.68000

Storage condition

2-8°C(protect from light)

Vapour Pressure

0.0±0.8 mmHg at 25°C

Safety Information of 1000343-70-3

Pictograms

Signal Word

 Warning

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

Applications of 1000343-70-3

3-Iodo-5-methyl-1H-pyrrolo[3,2-b]pyridine has several applications:

  • Medicinal Chemistry: It serves as a building block for synthesizing potential therapeutic agents targeting various diseases, particularly cancer.
  • Chemical Biology: This compound is utilized as a probe in chemical biology to study cellular processes and pathways involving FGFRs.
  • Industrial

Interaction Studies of 1000343-70-3

Interaction studies have demonstrated that 3-Iodo-5-methyl-1H-pyrrolo[3,2-b]pyridine can form hydrogen bonds with amino acid residues in FGFRs. This interaction enhances its binding affinity and specificity towards these receptors, which is crucial for its inhibitory effects on cancer cell proliferation and migration. Structural modifications of the compound can significantly influence its interaction profile and biological efficacy, making it a subject of ongoing research .

Similar Compounds: Comparison with Other Compounds

Several compounds share structural similarities with 3-Iodo-5-methyl-1H-pyrrolo[3,2-b]pyridine. Here are some notable examples:

Compound NameStructure TypeUnique Features
3-Iodo-4-methoxy-1H-pyrrolo[2,3-b]pyridinePyrrolo[2,3-b]pyridineDifferent substitution pattern affecting activity
5-Iodo-1H-pyrrolo[2,3-b]pyridinePyrrolo[2,3-b]pyridineVaries in biological activity due to substitution differences
Methyl 3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carboxylateCarboxylate derivativePotentially higher solubility and bioavailability

Biological Activity of 1000343-70-3

Research indicates that 3-Iodo-5-methyl-1H-pyrrolo[3,2-b]pyridine exhibits significant biological activity, particularly as an inhibitor of fibroblast growth factor receptors (FGFRs). These receptors are crucial in various signaling pathways related to cell proliferation and differentiation. In vitro studies have shown that derivatives of this compound can inhibit FGFR activity, which is promising for cancer therapy due to their potential to impede tumor growth and metastasis.

Physical sample testing spectrum (NMR) of 1000343-70-3

Physical sample testing spectrum (NMR) of 1000343-70-3
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