79094-20-5

Basic information

• Product Name: Daltroban
• Synonyms: SKF-96148;4-[2-[(4-CHLOROPHENYLSULFONYL)AMINO]ETHYL]BENZENEACETIC ACID;2-[4-[2-(4-chlorophenyl)sulfonylaminoethyl]phenyl]acetic acid;BM-13505;DALTROBAN;DatelliptiumChloride;4-[2-[(4-Chlorophenylsulfonyl)amino]ethyl]benzeneacetic acid, BM-13505, SKF-96148;4-[2-(4-Chlorobenzene-sulfonamido)ethyl]benzeneacetic acid
• CAS NO: 79094-20-5
• Molecular Formula: C₁₆H₁₆ClNO₄S
• Molecular Weight: 353.82
• Mol File: 79094-20-5.mol
• Article Data: 2

Chemical Properties

• Melting Point: 132.5-137.4 °C(lit.)
• Boiling Point: 555.3 °C at 760 mmHg
• Flash Point: 289.6 °C
• Appearance: white/
• Density: 1.378 g/cm³
• Vapor Pressure: 3.63E-13mmHg at 25°C
• Refractive Index: 1.609
• Solubility: DMSO: 22 mg/mL, soluble
• PKA: 4.33±0.10(Predicted)
• CAS DataBase Reference: Daltroban(CAS DataBase Reference)
• NIST Chemistry Reference: Daltroban(79094-20-5)
• EPA Substance Registry System: Daltroban(79094-20-5)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37
• WGK Germany: 3
• Hazardous Substances Data: 79094-20-5(Hazardous Substances Data)

Usage

Description

Daltroban is a chemical compound that functions as an immunosuppressant and has potential applications in the medical field.

Uses

Used in Pharmaceutical Industry:
Daltroban is used as an immunosuppressant for managing immune responses and preventing organ transplant rejection.
Used in Regenerative Medicine:
Daltroban is used as an a2 receptor to target adipose-derived stem cells for treating ischemic diseases, promoting tissue repair and regeneration.

InChI:InChI=1/C16H16ClNO4S/c17-14-5-7-15(8-6-14)23(21,22)18-10-9-12-1-3-13(4-2-12)11-16(19)20/h1-8,18H,9-11H2,(H,19,20)

Upstream product

• 98-60-2 4-chlorobenzenesulfonyl chloride 

Downstream Products

• 143782-74-5 2-[4-[2-(4-chlorophenylsulphonylamino)-ethyl]-phenyl]-acetic acid piperidide 
• 128186-48-1 4-[2-(4-Chlorobenzenesulphonamido)-ethyl]-phenylacetic acid (1H-tetrazol-5-yl)-amide 

Relevant articles and documents

Thromboxane A2 receptor antagonists. Synthesis and activities of phenylsulfonamido derivatives

A number of phenylsulfonamido derivatives have been synthesized and tested for their ability to inhibit: a) thromboxane A2/prostaglandin H2 (TXA2/PGH2) mimetic (U46619)-induced guinea pig platelet aggregation; b) aortic ring contraction; and c) binding of a radioiodinated TXA2/PGH2 mimetic (I-BOP) to platelets.In platelets, Kd values ranged from 9 nM to > 50 μM. pKb values in aortic rings ranged from 7.63 to 3.66 and in platelets from 7.7 to A high degree of correlation was observed between the Kd and pKb values found in the 3 sytems.Antagonist activity at the TXA2/PGH2 receptor was sensitive to both the substitution pattern of the 2 aromatic rings and the presence of heteroatoms.For 2 of the derivatives (4 and 11) molecular mechanics calculations were performed which indicated subtle structural differences that may account for the > 300-fold difference in potency observed for these analogs at the platelet TXA2/PGH2 receptor. thromboxane A2 / antagonist / platelet / artery / receptor / phenylsulfonamido derivative