7-​[[4-​[Bis(3-​amino-​3-​oxopropyl)​amino]​-​6-​chloro-​1,​3,​5-​triazin-​2-​yl]​amino]​-​4-​hydroxy-​3-​[2-​(4-​methoxyphenyl)​diazenyl]​-2-​naphthalenesulfonic Acid 1-​Methylethyl Ester

CAS: 298679-54-6

Ref. TR-B419175

Product Information

• Name: 7-​[[4-​[Bis(3-​amino-​3-​oxopropyl)​amino]​-​6-​chloro-​1,​3,​5-​triazin-​2-​yl]​amino]​-​4-​hydroxy-​3-​[2-​(4-​methoxyphenyl)​diazenyl]​-2-​naphthalenesulfonic Acid 1-​Methylethyl Ester
• Synonyms: (E)-Isopropyl 7-((4-(Bis(3-amino-3-oxopropyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((4-methoxyphenyl)diazenyl)naphthalene-2-sulfonate
• Brand: TRC
• Description: Applications 7-​[[4-​[Bis(3-​amino-​3-​oxopropyl)​amino]​-​6-​chloro-​1,​3,​5-​triazin-​2-​yl]​amino]​-​4-​hydroxy-​3-​[2-​(4-​methoxyphenyl)​diazenyl]​-2-​naphthalenesulfonic Acid 1-​Methylethyl Ester is an intermediate in synthesizing 7-[[4-[Bis(3-Amino-3-oxopropyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxyphenyl)azo]-2-naphthalenesulfonic Acid (B426265), which acts as a non-peptide hormone receptor antagonist affecting physiological homeostasis and reproduction. Hormone antagonist.References Arey, B. et al.: Endocrinol., 143, 3822 (2002); Wrobel, J. et al.: Synth. Comm., 32, 2695 (2002)

Chemical properties

• Molecular weight: 686.14
• Formula: C₂₉H₃₂ClN₉O₇S
• Color/Form: Neat
• InChI: InChI=1S/C29H32ClN9O7S/c1-16(2)46-47(43,44)22-15-17-14-19(6-9-21(17)26(42)25(22)38-37-18-4-7-20(45-3)8-5-18)33-28-34-27(30)35-29(36-28)39(12-10-23(31)40)13-11-24(32)41/h4-9,14-16,42H,10-13H2,1-3H3,(H2,31,40)(H2,32,41)(H,33,34,35,36)
• InChI key: InChIKey=SGWNSMCNDDAWQU-HEFFKOSUSA-N
• SMILES: COc1ccc(/N=N/c2c(S(=O)(=O)OC(C)C)cc3cc(Nc4nc(Cl)nc(N(CCC(N)=O)CCC(N)=O)n4)ccc3c2O)cc1