ChemicalBook--->CAS DataBase List--->79094-20-5

79094-20-5

79094-20-5 Structure

79094-20-5 Structure
IdentificationMore
[Name]

Daltroban
[CAS]

79094-20-5
[Synonyms]

2-[4-[2-(4-chlorophenyl)sulfonylaminoethyl]phenyl]acetic acid
4-[2-[(4-CHLOROPHENYLSULFONYL)AMINO]ETHYL]BENZENEACETIC ACID
BM-13505
DALTROBAN
SKF-96148
DatelliptiumChloride
4-[2-[(4-Chlorophenylsulfonyl)amino]ethyl]benzeneacetic acid, BM-13505, SKF-96148
4-[2-(4-Chlorobenzene-sulfonamido)ethyl]benzeneacetic acid
[Molecular Formula]

C16H16ClNO4S
[MDL Number]

MFCD00868295
[Molecular Weight]

353.82
[MOL File]

79094-20-5.mol
Chemical PropertiesBack Directory
[Melting point ]

132.5-137.4 °C(lit.)
[Boiling point ]

555.3±60.0 °C(Predicted)
[density ]

1.378±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO: 22 mg/mL, soluble
[form ]

A solid
[pka]

4.33±0.10(Predicted)
[color ]

white
[InChI]

InChI=1S/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)
[InChIKey]

IULOBWFWYDMECP-UHFFFAOYSA-N
[SMILES]

C1(CC(O)=O)=CC=C(CCNS(C2=CC=C(Cl)C=C2)(=O)=O)C=C1
[CAS DataBase Reference]

79094-20-5(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
[WGK Germany ]

3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Potassium carbonate-->Palladium chloride-->4-Chlorobenzenesulfonyl chloride-->[4-(cyanomethyl)phenyl]acetic acid
Hazard InformationBack Directory
[Description]

Daltroban (BM 13505, SKF 96148), a specific thromboxane A2 receptor antagonist, was studied as an antithrombotic agent. Daltroban increases intracellular calcium in vascular smooth muscle cells. Daltroban shows a protective effect in reperfusion injury. The drug was licensed to Smith Kline Beecham and underwent phase III clinical trials in the UK and Germany as an antithrombotic agent but did not enter clinical trials in the USA. Besides, вaltroban was investigated in patients with an ischemic heart disorder. However, the development of daltroban has been discontinued.
[Uses]

Daltroban can be used as a2 receptor to target adipose-derived stem cell for treating ischemic diseases.
[Uses]

Immunosuppressant.
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

Daltroban(79094-20-5)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

79094-20-5(sigmaaldrich)
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