121315-20-6

Basic information

• Product Name: 2-[2-[(3-Aminobenzoyl)amino]ethylsulfonyl]ethyl hydrogen sulfate
• Synonyms: 3-AMINO-N-[2-[(2-SULFOXY)ETHYL]-SULFONYL]ETHYL BENZAMIDE,SODIUM;2-[2-(3-AMINOBENZAMIDE)ETHYLSULFONYL]ETHANOL HYDROGEN SULFATE;3-amino-n-[2-[[2-(sulfooxy)ethyl]sulfonyl]ethyl]-benzamid;2-[2-[(3-AMINOBENZOYL)AMINO]ETHYLSULFONYL]ETHYL HYDROGEN SULFATE;3-Amino-N-(2-((2-(sulfooxy)ethyl)sulfonyl)ethyl)benzamide;Benzamide, 3-amino-N-(2-((2-(sulfooxy)ethyl)sulfonyl)ethyl)-
• CAS NO: 121315-20-6
• Molecular Formula: C₁₁H₁₆N₂O₇S₂
• Molecular Weight: 352.38
• Mol File: 121315-20-6.mol
• Article Data: 0

Chemical Properties

• Appearance: white
• Density: 1.548 g/cm³
• Refractive Index: 1.603
• PKA: -3.85±0.18(Predicted)
• CAS DataBase Reference: 2-[2-[(3-Aminobenzoyl)amino]ethylsulfonyl]ethyl hydrogen sulfate(CAS DataBase Reference)
• NIST Chemistry Reference: 2-[2-[(3-Aminobenzoyl)amino]ethylsulfonyl]ethyl hydrogen sulfate(121315-20-6)
• EPA Substance Registry System: 2-[2-[(3-Aminobenzoyl)amino]ethylsulfonyl]ethyl hydrogen sulfate(121315-20-6)

Safety Data

• Hazardous Substances Data: 121315-20-6(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
2-[2-[(3-Aminobenzoyl)amino]ethylsulfonyl]ethyl hydrogen sulfate is used as an active pharmaceutical ingredient for its anti-inflammatory and analgesic properties. It is employed to alleviate pain and reduce inflammation by interacting with specific biological targets, thereby providing therapeutic benefits for conditions characterized by these symptoms.
Used in Skin Care Applications:
In the dermatological field, 2-[2-[(3-Aminobenzoyl)amino]ethylsulfonyl]ethyl hydrogen sulfate has shown promise in the treatment of certain skin conditions. Its ability to modulate biological pathways involved in skin inflammation and pain makes it a potential candidate for formulations aimed at improving skin health and managing dermatological disorders.
Used in Cancer Therapy Research:
Although still in the exploratory stage, 2-[2-[(3-Aminobenzoyl)amino]ethylsulfonyl]ethyl hydrogen sulfate has demonstrated potential in cancer therapy. It is being studied for its capacity to impact cellular processes that contribute to tumor growth and progression, suggesting that it could be developed as a novel therapeutic agent for cancer treatment in the future.

InChI:InChI=1/C11H16N2O7S2/c12-10-3-1-2-9(8-10)11(14)13-4-6-21(15,16)7-5-20-22(17,18)19/h1-3,8H,4-7,12H2,(H,13,14)(H,17,18,19)

Synthetic route

2-[2-(3-aminobenzamido)ethylsulfonyl]ethanol sulfate (121315-20-6) → C24H18Cl2N7O14S4(3-)*3Na(1+)

Conditions	Yield
Multi-step reaction with 2 steps 1.1: hydrogenchloride; sodium nitrite / water / 1.5 h / Cooling with ice 1.2: 2 h / 0 - 10 °C / pH 5.5 - 8 2.1: sodium hydrogencarbonate / 0 - 10 °C / pH 3.5 - 5 View Scheme

2-[2-(3-aminobenzamido)ethylsulfonyl]ethanol sulfate (121315-20-6) → C40H35ClN8O20S6(4-)*4Na(1+)

Conditions	Yield
Multi-step reaction with 3 steps 1.1: hydrogenchloride; sodium nitrite / water / 1.5 h / Cooling with ice 1.2: 2 h / 0 - 10 °C / pH 5.5 - 8 2.1: sodium hydrogencarbonate / 0 - 10 °C / pH 3.5 - 5 3.1: sodium hydrogencarbonate / 40 - 60 °C / pH 3.5 - 5 View Scheme

2-[2-(3-aminobenzamido)ethylsulfonyl]ethanol sulfate (121315-20-6) → C40H33ClN8O12S4(2-)*2Na(1+)

Conditions	Yield
Multi-step reaction with 4 steps 1.1: hydrogenchloride; sodium nitrite / water / 1.5 h / Cooling with ice 1.2: 2 h / 0 - 10 °C / pH 5.5 - 8 2.1: sodium hydrogencarbonate / 0 - 10 °C / pH 3.5 - 5 3.1: sodium hydrogencarbonate / 40 - 60 °C / pH 3.5 - 5 4.1: sodium carbonate / 40 - 70 °C / pH 9 - 10 View Scheme

2-[2-(3-aminobenzamido)ethylsulfonyl]ethanol sulfate (121315-20-6) + 4-amino-5-hydroxy-2,7-naphthalenedisulfonic acid (90-20-0) → C21H19N4O14S4(3-)*3Na(1+)

Conditions	Yield
Stage #1: 2-[2-(3-aminobenzamido)ethylsulfonyl]ethanol sulfate With hydrogenchloride; sodium nitrite In water for 1.5h; Cooling with ice; Stage #2: 4-amino-5-hydroxy-2,7-naphthalenedisulfonic acid With sodium hydrogencarbonate In water at 0 - 10℃; for 2h; pH=5.5 - 8;

2-[2-(3-aminobenzamido)ethylsulfonyl]ethanol sulfate (121315-20-6) + 3,5-diaminobenzamide (53882-15-8) → C18H21N6O8S2(1-)*Na(1+)

Conditions	Yield
Stage #1: 2-[2-(3-aminobenzamido)ethylsulfonyl]ethanol sulfate With hydrogenchloride; sodium nitrite In water for 1.5h; Cooling with ice; Stage #2: 3,5-diaminobenzamide With sodium hydrogencarbonate In water at 0 - 10℃; for 2h; pH=3-5;