686342-80-3

Basic information

• Product Name: 5-Amino-4-iodo-2-methyl-benzoic acid methyl ester
• Synonyms: 5-Amino-4-iodo-2-methyl-benzoic acid methyl ester;methyl 5-amino-4-iodo-2-methylbenzoate
• CAS NO: 686342-80-3
• Molecular Formula: C₉H₁₀INO₂
• Molecular Weight: 291.08567
• Mol File: 686342-80-3.mol
• Article Data: 6

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 5-Amino-4-iodo-2-methyl-benzoic acid methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Amino-4-iodo-2-methyl-benzoic acid methyl ester(686342-80-3)
• EPA Substance Registry System: 5-Amino-4-iodo-2-methyl-benzoic acid methyl ester(686342-80-3)

Safety Data

• Hazardous Substances Data: 686342-80-3(Hazardous Substances Data)

Upstream product

• 18595-12-5 methyl 5-amino-2-methylbenzoate 
• 1975-52-6 5-nitro-o-toluic acid 
• 77324-87-9 methyl 2-methyl-5-nitrobenzoate 
• 67-56-1 methanol 
• 857246-07-2 C₈H₈ClNO 
• 64688-68-2 2-methyl-5-nitrobenzoyl chloride 

Downstream Products

• 618881-38-2 methyl [3-amino-4-(hept-1-ynyl)-6-methyl]benzoate 
• 618881-41-7 methyl [3-formyl-2-pentyl-1-(2-phenylethyl)-5-methyl]indole-6-carboxylate 
• 782499-32-5 methyl [3-hydroxymethyl-2-(1-pentyl)-1-(2-phenylethyl)-5-methyl]indole-6-carboxylate 
• 1186038-01-6 5-(3-chlorophenylamino)-9-methylbenzo[c][2,6]naphthyridine-8-carboxylic acid 
• 1186038-00-5 C₂₁H₁₆ClN₃O₂ 

Relevant articles and documents

TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS IRAK4 INHIBITORS

Disclosed are compounds of Formula (I) or a salt or prodrug thereof, wherein: X11 and X22 are independently C or N, provided that zero or one of X11 and X22 is N; Ring A represented by the structure is: or; and Q, R11, R22, R33, R44, R66, and p are define herein. Also disclosed are methods of using such compounds as modulators of IRAK4, and pharmaceutical compositions comprising such compounds. These compounds are useful in treating, preventing, or slowing inflammatory and autoimmune diseases, or in the treatment of cancer.

Discovery and SAR of 5-(3-Chlorophenylamino)benzo[ c ][2,6]naphthyridine-8- carboxylic Acid (CX-4945), the first clinical stage inhibitor of protein kinase CK2 for the Treatment of Cancer

Herein we chronicle the discovery of CX-4945 (25n), a first-in-class, orally bioavailable ATP-competitive inhibitor of protein kinase CK2 in clinical trials for cancer. CK2 has long been considered a prime cancer drug target because of the roles of deregulated and overexpressed CK2 in cancer-promoting prosurvival and antiapoptotic pathways. These biological properties as well as the suitability of CK2s small ATP binding site for the design of selective inhibitors, led us to fashion novel therapeutic agents for cancer. The optimization leading to 25n (Ki = 0.38 nM) was guided by molecular modeling, suggesting a strong binding of 25n resulting from a combination of hydrophobic interactions, an ionic bridge with Lys68, and hydrogen bonding with the hinge region. 25n was found to be highly selective, orally bioavailable across species (20-51%) and efficacious in xenograft models. The discovery of 25n will allow the therapeutic targeting of CK2 in humans for the first time.

Small molecule inhibition of a PDZ-domain interaction

Novel compounds that have been found effective in inhibiting PDZ domain interactions, and particularly interactions of PDZ domains in MAGIs with the oncogenic (tumor suppressor) protein PTEN and interactions between the PDZ domain in the Dishevelled (Dvl) protein and other proteins such as the Frizzled (Fz) protein, have the general formula The invention also includes combinatorial libraries, arrays and methods for screening and studying proteins using such compounds. Compounds of the invention have produced apoptosis in certain cell lines that overexpress the Dishevelled protein (Dvl); inhibiting Wnt signaling.