CAS No.1953-02-2,Tiopronin Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1953-02-2
Name:	Tiopronin
Article Data:	22

Formula:	C₅H₉NO₃S
Molecular Weight:	163.197
Synonyms:	Glycine,N-(2-mercaptopropionyl)- (7CI,8CI);(2-Mercaptopropionyl)glycine;Acadione;CCRIS 1935;Captimer;Epatiol;MPG;MPG(hepatoprotective);N-(2-Mercaptopropionyl)glycine;Sutilan Cusi;Thiolpropionamidoacetic acid;Thiosol;Tioglis;a-Mercaptopropionyglycine;
EINECS:	217-778-4
Density:	1.294 g/cm³
Melting Point:	93-98 °C
Boiling Point:	418.3 °C at 760 mmHg
Flash Point:	206.8 °C
Appearance:	white crystalline powder
Hazard Symbols:	Xn
Risk Codes:	22
Safety:	36/37
PSA:	105.20000
LogP:	-0.10360

Synthetic route

: 85038-45-5
2-chloropropionylglycine

: 1953-02-2
N-(2-mercaptopropionyl)glycine

Conditions

Conditions	Yield
Stage #1: 2-chloropropionylglycine With sodium disulfide; sulfuric acid; sodium carbonate In water at 45℃; for 0.05h; Large scale; Stage #2: With sulfuric acid; zinc at 5 - 20℃; for 1.05h; Temperature; Large scale;	76.5%

: 25413-03-0
N-(2-bromo-propionyl)-glycine

: 1953-02-2
N-(2-mercaptopropionyl)glycine

Conditions

Conditions	Yield
With hydrogen sulfide; sodium methylate In methanol

: 6182-95-2
α-Ethylxanthogenpropionylglycin

: 1953-02-2
N-(2-mercaptopropionyl)glycine

Conditions

Conditions	Yield
With ammonium hydroxide In ethanol

: bis-2,2-mercaptopropionylglycine

: 1953-02-2
N-(2-mercaptopropionyl)glycine

Conditions

Conditions	Yield
With sulfuric acid; zinc

: 6183-01-3
α-Benzoylmercaptopropionylglycin

: 1953-02-2
N-(2-mercaptopropionyl)glycine

Conditions

Conditions	Yield
With ammonium hydroxide for 1h; Ambient temperature;

: 6183-04-6
α-Benzylmercaptopropionylglycin

: 1953-02-2
N-(2-mercaptopropionyl)glycine

Conditions

Conditions	Yield
With ammonia; sodium

: C38H43N5O9S

A: 1953-02-2
N-(2-mercaptopropionyl)glycine

B: 902268-70-6
biliverdin IXα

Conditions

Conditions	Yield
In dimethyl sulfoxide at 27.5℃; Equilibrium constant; further solvent;

: 144122-68-9
2-methylmercaptoacetyl chloride

: 56-40-6
glycine

: 1953-02-2
N-(2-mercaptopropionyl)glycine

Conditions

Conditions	Yield
With sodium carbonate at 0℃; for 5h;	190 g

conc. aqueous HCl: conc. aqueous HCl

: 60-29-7
diethyl ether

: 1953-02-2
N-(2-mercaptopropionyl)glycine

: 6282-02-6
N-(hydroxymethyl)benzamide

: N-[2-(S-benzamidomethyl)mercaptopropionyl]glycine

Conditions

Conditions	Yield
In water	94.4%

...Expand

: 4369-80-6
4-(3-Oxo-3H-benzo[d)-isothiazol-2-yl)benzenesulfonamide

: 1953-02-2
N-(2-mercaptopropionyl)glycine

: {2-[2-(4-Sulfamoylphenylcarbamoyl)phenyldisulfanyl]propionylamino}-acetic acid

Conditions

Conditions	Yield
In tetrahydrofuran; methanol at 60℃; for 0.5h;	93%

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Chemistry

IUPAC Name: 2-(2-Sulfanylpropanoylamino)acetic acid
Synonyms of Meprin (CAS NO.1953-02-2): (2-Mercaptopropionyl)glycine ; Capen ; Captimer ; Epatiol ; Mercaptopropionylglycine ; Tiopronin ; N-(2-Mercapto-1-oxopropyl)glycine ; Tioproninum
CAS NO: 1953-02-2
Molecular Formula: C₅H₉NO₃S
Molecular Weight: 163.19
Molecular Structure:
EINECS: 217-778-4
H bond acceptors: 4
H bond donors: 2
Freely Rotating Bonds: 4
Polar Surface Area: 71.91Å²
Index of Refraction: 1.518
Molar Refractivity: 38.25 cm³
Molar Volume: 126 cm³
Surface Tension: 49.9 dyne/cm
Density: 1.294 g/cm³
Flash Point: 206.8 °C
Enthalpy of Vaporization: 73.7 kJ/mol
Boiling Point: 418.3 °C at 760 mmHg
Vapour Pressure: 3.6E-08 mmHg at 25°C
Melting Point: 93-98 °C
Product Categories of Meprin (CAS NO.1953-02-2): Pharmaceutical material and intermeidates
SMILES: O=C(O)CNC(=O)C(S)C
InChI: InChI=1/C5H9NO3S/c1-3(10)5(9)6-2-4(7)8/h3,10H,2H2,1H3,(H,6,9)(H,7,8)
InChIKey: YTGJWQPHMWSCST-UHFFFAOYAE
Std. InChI: InChI=1S/C5H9NO3S/c1-3(10)5(9)6-2-4(7)8/h3,10H,2H2,1H3,(H,6,9)(H,7,8)
Std. InChIKey: YTGJWQPHMWSCST-UHFFFAOYSA-N

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mammal (species unspecified)	LD50	unreported	2100mg/kg (2100mg/kg)		Indian Journal of Experimental Biology. Vol. 19, Pg. 396, 1981.
mouse	LD50	intraperitoneal	673mg/kg (673mg/kg)		Yakugaku Zasshi. Journal of Pharmacy. Vol. 89, Pg. 1138, 1969.
mouse	LD50	intravenous	1733mg/kg (1733mg/kg)		Japanese Journal of Antibiotics. Vol. 38, Pg. 137, 1985.
mouse	LD50	oral	2330mg/kg (2330mg/kg)		Drugs in Japan Vol. 6, Pg. 456, 1982.
mouse	LD50	subcutaneous	2290mg/kg (2290mg/kg)		Japanese Journal of Antibiotics. Vol. 41, Pg. 105, 1988.
rabbit	LD50	intravenous	1800mg/kg (1800mg/kg)	BEHAVIORAL: EXCITEMENT	"Proceedings of the International Symposium on Thiola, Tokyo, Japan, 1970," Osaka, Japan, Santen Pharmaceutical Co., Ltd., 1970Vol. -, Pg. 9, 1970.
rat	LD50	intramuscular	1630mg/kg (1630mg/kg)		United States Patent Document. Vol. #4242354,
rat	LD50	intraperitoneal	1400mg/kg (1400mg/kg)		Farmaco, Edizione Scientifica. Vol. 41, Pg. 758, 1986.
rat	LD50	oral	1300mg/kg (1300mg/kg)		Drugs in Japan Vol. 6, Pg. 456, 1982.
women	TDLo	oral	3120mg/kg/26W (3120mg/kg)	BLOOD: "CHANGES IN SERUM COMPOSITION (E.G., TP, BILIRUBIN, CHOLESTEROL)"	American Journal of Kidney Diseases. Vol. 19, Pg. 179, 1992.

Safety Profile

Safety Information about Meprin (CAS NO.1953-02-2):
Hazard Codes: Harmful Xn
Risk Statements: 22
R22: Harmful if swallowed.
Safety Statements: 36/37
S36/37: Wear suitable protective clothing and gloves.
WGK Germany: 3
RTECS: MC0596500
Moderately toxic by ingestion, intravenous and intraperitoneal routes. When heated to decomposition it emits toxic fumes of SO_x and NO_x. See also MERCAPTANS.