CAS 127-69-5|Sulfisoxazole

Introduction：Basic information about CAS 127-69-5|Sulfisoxazole, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Sulfisoxazole BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
MUTATION DATA
5. Safety Information
6. Customs
7. Articles52
8. Synonyms

Common Name	Sulfisoxazole
CAS Number	127-69-5	Molecular Weight	267.304
Density	1.4±0.1 g/cm3	Boiling Point	482.2±55.0 °C at 760 mmHg
Molecular Formula	C₁₁H₁₃N₃O₃S	Melting Point	195°C
MSDS	ChineseUSA	Flash Point	245.4±31.5 °C
Symbol	GHS07	Signal Word	Warning

Names

Name	sulfisoxazole
Synonym	More Synonyms

Sulfisoxazole BiologicalActivity

Description	Sulfisoxazole, an endothelin receptor antagonist, is a sulfonamide antibacterial with an oxazole substituent.Target: Antibacterial; Endothelin ReceptorThe sulfanilamide antibacterial agent sulfisoxazole was found to be a good endothelin receptor antagonist (IC50's of 0.60 microM and 22 microM for the ETA and ETB receptors, respectively) [1]. Sulfisoxazole is used to treat or prevent infections in many different parts of the body. It belongs to the group of medicines known as sulfonamide antibiotics. It works by preventing the growth of bacteria [2].
Related Catalog	Signaling Pathways >>Anti-infection >>BacterialSignaling Pathways >>GPCR/G Protein >>Endothelin ReceptorResearch Areas >>Infection
References	[1]. Chan, M.F., et al., Identification of a new class of ETA selective endothelin antagonists by pharmacophore directed screening. Biochem Biophys Res Commun, 1994. 201(1): p. 228-34. [2]. http://www.mayoclinic.org/drugs-supplements/sulfisoxazole-oral-route/description/drg-20072998

Description

Sulfisoxazole, an endothelin receptor antagonist, is a sulfonamide antibacterial with an oxazole substituent.Target: Antibacterial; Endothelin ReceptorThe sulfanilamide antibacterial agent sulfisoxazole was found to be a good endothelin receptor antagonist (IC50's of 0.60 microM and 22 microM for the ETA and ETB receptors, respectively) [1]. Sulfisoxazole is used to treat or prevent infections in many different parts of the body. It belongs to the group of medicines known as sulfonamide antibiotics. It works by preventing the growth of bacteria [2].

Related Catalog

Signaling Pathways >>Anti-infection >>BacterialSignaling Pathways >>GPCR/G Protein >>Endothelin ReceptorResearch Areas >>Infection

References

[1]. Chan, M.F., et al., Identification of a new class of ETA selective endothelin antagonists by pharmacophore directed screening. Biochem Biophys Res Commun, 1994. 201(1): p. 228-34.

[2]. http://www.mayoclinic.org/drugs-supplements/sulfisoxazole-oral-route/description/drg-20072998

Chemical & Physical Properties

Density	1.4±0.1 g/cm3
Boiling Point	482.2±55.0 °C at 760 mmHg
Melting Point	195°C
Molecular Formula	C₁₁H₁₃N₃O₃S
Molecular Weight	267.304
Flash Point	245.4±31.5 °C
Exact Mass	267.067749
PSA	106.60000
LogP	1.01
Vapour Pressure	0.0±1.2 mmHg at 25°C
Index of Refraction	1.626
InChIKey	NHUHCSRWZMLRLA-UHFFFAOYSA-N
SMILES	Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C
Storage condition	2-8°C
Stability	Stable. Incompatible with strong oxidizing agents.
Water Solubility	<0.1 g/100 mL at 22.5 ºC

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: WO9100000

CHEMICAL NAME :: Sulfanilamide, N(sup 1)-(3,4-dimethyl-5-isoxazolyl)-

CAS REGISTRY NUMBER :: 127-69-5

BEILSTEIN REFERENCE NO. :: 0263871

LAST UPDATED :: 199706

DATA ITEMS CITED :: 17

MOLECULAR FORMULA :: C11-H13-N3-O3-S

MOLECULAR WEIGHT :: 267.33

WISWESSER LINE NOTATION :: T5NOJ CMSWR DZ& D1 E1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 10 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 6800 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >5 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 20 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 6 gm/kg

SEX/DURATION :: female 9-14 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 6 gm/kg

SEX/DURATION :: female 7-12 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)

MUTATION DATA

TYPE OF TEST :: Sister chromatid exchange

TEST SYSTEM :: Rodent - hamster Ovary

DOSE/DURATION :: 100 mg/L

REFERENCE :: SCIEAS Science. (American Assoc. for the Advancement of Science, 1333 H St., NW, Washington, DC 20005) V.1- 1895- Volume(issue)/page/year: 236,933,1987 *** REVIEWS *** IARC Cancer Review:Human Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 24,275,1980 IARC Cancer Review:Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 24,275,1980 IARC Cancer Review:Group 3 IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,347,1987 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 80541 No. of Facilities: 353 (estimated) No. of Industries: 2 No. of Occupations: 9 No. of Employees: 4053 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 80541 No. of Facilities: 258 (estimated) No. of Industries: 2 No. of Occupations: 5 No. of Employees: 5506 (estimated) No. of Female Employees: 3068 (estimated)

Safety Information

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H315-H319-H335
Precautionary Statements	P305 + P351 + P338
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes	Xi:Irritant;
Risk Phrases	R36/37/38
Safety Phrases	S26-S36
RIDADR	NONH for all modes of transport
WGK Germany	2
RTECS	WO9100000
HS Code	2935009090

Customs

HS Code	2935009090
Summary	2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%

Articles52

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Drug-induced liver injury (DILI) is a significant concern in drug development due to the poor concordance between preclinical and clinical findings of liver toxicity. We hypothesized that the DILI typ...

Convenient QSAR model for predicting the complexation of structurally diverse compounds with β-cyclodextrins

Bioorg. Med. Chem. 17 , 896-904, (2009)

This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoret...

Fast determination of 22 sulfonamides from chicken breast muscle using core-shell nanoring amino-functionalized superparamagnetic molecularly imprinted polymer followed by liquid chromatography-tandem mass spectrometry.

J. Chromatogr. A. 1345 , 17-28, (2014)

A novel, simple and sensitive method was developed for the simultaneous determination of 22 sulfonamides (SAs) in chicken breast muscle by using the dispersive micro-solid-phase extraction (d-μ-SPE) p...

Synonyms

4-Amino-N-(3,4-dimethyl-5-isoxazolyl)benzenesulfonamide

4-Amino-N-(3,4-dimethylisoxazol-5-yl)-benzenesulfonamide

4-Amino-N-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide

Gantrizin

Sulfisoxazole

T5NOJ CMSWR DZ& D1 E1

N1-(3,4-Dimethyl-5-isoxazolyl)sulfanilamide

Benzenesulfonamide, 4-amino-N-(3,4-dimethyl-5-isoxazolyl)-

Sulfafurazole

EINECS 204-858-9

MFCD00003150

4-Amino-N-(3,4-d

5-(p-Aminobenzenesulfonamido)-3,4-dimethylisooxazole

4-Amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide

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