CAS 1202763-91-4

3-Butyn-2-ol, 4-[3-[2-amino-5-(2-methoxyethoxy)-4-pyrimidinyl]-1H-indol-5-yl]-2-methyl-

Description:

3-Butyn-2-ol, 4-[3-[2-amino-5-(2-methoxyethoxy)-4-pyrimidinyl]-1H-indol-5-yl]-2-methyl- is a complex organic compound characterized by its multi-functional structure, which includes a butynol moiety and a pyrimidine-indole hybrid. The presence of the butynol group indicates that it has alkyne characteristics, which can participate in various chemical reactions, including addition reactions. The compound also features an amino group, which can act as a site for hydrogen bonding and may influence its solubility and reactivity. The methoxyethoxy substituent enhances its hydrophilicity, potentially improving its bioavailability in pharmaceutical applications. This compound is likely to exhibit interesting biological activities due to its structural complexity, making it a candidate for further research in medicinal chemistry. Its CAS number, 1202763-91-4, allows for precise identification in chemical databases, facilitating studies on its synthesis, properties, and potential applications in drug development or other fields.

Formula: C₂₀H₂₂N₄O₃

InChI: InChI=1S/C20H22N4O3/c1-20(2,25)7-6-13-4-5-16-14(10-13)15(11-22-16)18-17(27-9-8-26-3)12-23-19(21)24-18/h4-5,10-12,22,25H,8-9H2,1-3H3,(H2,21,23,24)

InChI key: ZZIZLABGKZWVAW-UHFFFAOYSA-N

SMILES: CC(C)(C#CC1=CC2=C(C=C1)NC=C2C3=NC(=NC=C3OCCOC)N)O

Synonyms:

• 3-Butyn-2-ol, 4-[3-[2-amino-5-(2-methoxyethoxy)-4-pyrimidinyl]-1H-indol-5-yl]-2-methyl-

NIK-IN-2

CAS: 1202763-91-4

NIK-IN-2 (compound 1) is an effective inhibitor of NF-κB inducing kinase (NIK), exhibiting a pIC50 of 7.4. It plays a crucial role in cancer research.

Formula: C₂₀H₂₂N₄O₃

Color and Shape: Solid

Molecular weight: 366.41

Ref: TM-T201462