Triethylenethiophosphoramide

Name	Thiotepa
Synonyms	Thiotepa wr-45312 Thiofosyl Thio-TEPA Triethylenethiophosphoramide triaziridinylphosphinesulfide tris(ethylenimino)thiophosphate triethylenethiophosphorotriamide tris(1-aziridinyl)-phosphinesulfid tris(1-aziridinyl)phosphinesulphide Tris(1-aziridinyl)phosphine sulfide 1,1',1''-phosphorothioyltriaziridine N,N',N''-Triethylenethiophosphoramide
CAS	52-24-4
EINECS	200-135-7
InChI	InChI=1/C6H12N3PS/c11-10(7-1-2-7,8-3-4-8)9-5-6-9/h1-6H2
InChIKey	FOCVUCIESVLUNU-UHFFFAOYSA-N

Molecular Formula	C6H12N3PS
Molar Mass	189.22
Density	1.50±0.1 g/cm3(Predicted)
Melting Point	54-57 °C
Boling Point	270.2±23.0 °C(Predicted)
Flash Point	117.2°C
Water Solubility	19 g/100 mL (25 ºC)
Solubility	Soluble in benzene, acetone and methanol.
Vapor Presure	0.00695mmHg at 25°C
Appearance	White crystal
Color	white
pKa	2.74±0.20(Predicted)
Storage Condition	2-8°C
Stability	Stable. Incompatible with strong oxidizing agents.
Refractive Index	1.708
MDL	MFCD00145452
Physical and Chemical Properties	White scaly crystals or crystalline powders. Melting point of 51.5 ° C, 25 ° C water solubility of 19g/100ml, soluble in ethanol, soluble in benzene, ether, chloroform. Odorless or almost odorless.
Use	Has a good effect on breast cancer and ovarian cancer
In vitro study	Thio-TEPA exhibits alkylating activity in rat liver slice incubation. Thio-TEPA does not affect the viability of rat liver slices, and is not accumulated in the slices at all doses of 2, 5, 10 mM.
In vivo study	Thio-TEPA (20 mg/kg, i.p.) with total body irradiation (TBI) enhances donor-type blood chimerism during the first 10 weeks but is not dramatically higher than that of TBI group alone. Thio-TEPA alone improves both short- and long-term engraftment in mice.

Hazard Symbols	T+ - Very toxic
Risk Codes	R45 - May cause cancer R46 - May cause heritable genetic damage R28 - Very Toxic if swallowed
Safety Description	S53 - Avoid exposure - obtain special instructions before use. S22 - Do not breathe dust. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S36/37 - Wear suitable protective clothing and gloves. S28 - After contact with skin, wash immediately with plenty of soap-suds.
UN IDs	UN 2811 6.1/PG 2
WGK Germany	3
RTECS	SZ2975000
HS Code	2933999552
Hazard Class	6.1(a)
Packing Group	II
Toxicity	LD50 i.v. in rats: 15 mg/kg (Scherf)