CAS 52-24-4 MFCD00145452-Thio-TEPA 三亚乙基硫代磷酰胺 TAO{mole}

Thio-TEPA 三亚乙基硫代磷酰胺

CAS 52-24-4 MFCD00145452

化学结构图

SMILES: S=P(N1CC1)(N1CC1)N1CC1

化学属性

Mol. Formula	C6H12N3PS
Mol. Weight	189.22
Melting Point	54-57 ºC
Solubility	19 G/100 ML (25 ºC)
TSCA	No
Appearance	solid

别名和识别编码

Chemical Name	Thio-TEPA
CAS Number	52-24-4
Alfabeta Name	PHOSPHOROTHIOYLTRIAZIRIDINE 111-,,'''
MDL Number	MFCD00145452
Synonym	1,1,1"-phosphinothioylidynetris-aziridin 1,1’,1’’-phosphinothioylidynetris-aziridin 1,1’,1’’-phosphinothioylidynetrisaziridine Girostan N,N',N''-Tri-1,2-ethanedi N,N',N"-Triethylenethiophosphamide N,N',N″-Triethylenethiophosphoramide N,N',N''-TRIETHYLENETHIOPHOSPHORAMIDE N,N',N''-Triethylenephosphorothioic triamide Phosphorothioic acid triethylenetriamide Phosphorothioic triamid SALOR-INT L169250-1E THIO-TEPA TRIS(1-AZIRIDINYL)PHOSPHINE SULFIDE TSPA Thio-Tep Thiotepa Tiofosfamid Tiofozil Tr Tri(ethyleneimino)thiophosphoramide Triazi Tris(aziridinyl)phosphine sulfide tris-aziridin-1- {} {uni_hambur {} {} {} {} {} {} {uni_ha
PubChem Substance ID	5453
EC Number	200-135-7
Chemical Name Translation	三亚乙基硫代磷酰胺
Wiswesser Line Notation	T3NTJ APS&- AT3NTJ&- AT3NTJ
Beilstein Registry Number	0145978
LabNetwork Molecule ID	LN00158952
InChI	InChI=1S/C6H12N3PS/c11-10(7-1-2-7,8-3-4-8)9-5-6-9/h1-6H2

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品牌质保精细包装现货库存一流品牌服务

产品应用

This substance is listed as a known human carcinogen. It is useful for the treatment of cancers, especially cancers resistant to chemotherapy. Antineoplastic.

安全信息

Warnings IRRITANT

WGK Germany3

GHS Symbol

Precautionary statements

P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P301+P310
P308+P313
P201 Obtain special instructions before use. 使用前获取专门指示。

Hazard statements

H350 May cause cancer 可能致癌
H300 Fatal if swallowed 吞食致命

RTECSSZ2975000

Signal word Danger

Personal Protective Equipment Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

Hazard Codes T+

Safety Statements

S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后，立即用大量…（由生产厂家指定）冲洗；
S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
S53 Avoid exposure - obtain special instructions before use 避免接触，使用前获得特别指示说明；
S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
S22 Do not breathe dust 不要吸入粉尘；
S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
S20 When using do not eat or drink 使用时，不得进食，饮水；
S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；

Risk Statements

R46 May cause inheritable genetic damage 可能引起遗传基因损害
R45 May cause cancer 可能致癌
R28 Very toxic if swallowed 吞咽极毒

UN Number 2811 UN 2811 6.1/PG 2 UN2811

Packing GroupI

Storage condition 储存温度 2-8°C 2-8°C

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 218 mg/kg/1Y-I
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Sense Organs and Special Senses (Ear) - effect, not otherwise specified
   Skin and Appendages - tumors
REFERENCE :
   NCITR* National Cancer Institute Carcinogenesis Technical Report Series.
   (Bethesda, MD)  No.0-205. For publisher information, see NTPTR*.
   Volume(issue)/page/year: NCI-TR-58,1978

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 52 mg/kg/1Y-I
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Gastrointestinal - tumors
   Blood - lymphoma, including Hodgkin's disease
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 20,1461,1970

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Parenteral
SPECIES OBSERVED        : Human - man
DOSE/DURATION           : 33 mg/kg/3Y-I
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Blood - leukemia
REFERENCE :
   CMAJAX Canadian Medical Association Journal.

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 360 mg/kg/1Y-I
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Blood - leukemia
   Blood - lymphoma, including Hodgkin's disease
REFERENCE :
   NCITR* National Cancer Institute Carcinogenesis Technical Report Series.
   (Bethesda, MD)  No.0-205. For publisher information, see NTPTR*.
   Volume(issue)/page/year: NCI-TR-58,1978

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Bird - wild bird species
DOSE/DURATION           : 5620 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AECTCV Archives of Environmental Contamination and Toxicology.
   (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ
   070944)  V.1-    1973-  Volume(issue)/page/year: 12,355,1983

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 9400 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 11 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FAVUAI Fiziologicheski Aktivnye Veshchestva.  Physiologically Active
   Substances.  (Izdatel'stvo Naukova Dumka, Kiev, USSR)  No.1-    1966-
   Volume(issue)/page/year: 22,36,1990

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 16500 ug/kg
TOXIC EFFECTS :
   Liver - hepatitis (hepatocellular necrosis), zonal
   Kidney, Ureter, Bladder - changes in tubules (including acute renal failure,
   acute tubular necrosis)
   Blood - changes in spleen
REFERENCE :
   FATOBP Farmakologiya i Toksikologiya (Kiev).  Pharmacology and Toxicology.
   (Kievskii Nauchno- Issledovatel'skii Institut Farmakologii i Toksikologii,
   Kiev, USSR)  No.1-    1964-  Vol

TYPE OF TEST            : Unscheduled DNA synthesis
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 2 ug
REFERENCE :
   ECEBDI Experimental Cell Biology.  (S. Karger Pub., Inc., 79 Fifth Ave., New
   York, NY 10003) V.44-    1976-  Volume(issue)/page/year: 50,271,1982

TYPE OF TEST            : Phage inhibition capacity
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 200 mg/L
REFERENCE :
   ARMKA7 Archiv fuer Mikrobiologie.  (Berlin, Fed. Rep. Ger.)  V.1-94,
   1930-73.  For publisher information, see AMICCW.  Volume(issue)/page/year:
   51,9,1965

TYPE OF TEST            : DNA damage
TEST SYSTEM

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 100 ug/plate
REFERENCE :
   TAKHAA Takeda Kenkyusho Ho.  Journal of the Takeda Research Laboratories.
   (Takeda Yakuhin Kogyo K.K., 2-17-85 Jusohon-machi, Yodogawa-ku, Osaka 532,
   Japan)  V.29-    1970-  Volume(issue)/page/year: 44,96,1985

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Mold - Aspergillus nidulans
DOSE/DURATION           : 250 ug/plate
REFERENCE :
   MUREAV Mutation Resear

TYPE OF TEST            : DNA inhibition
ROUTE OF EXPOSURE       : Intravenous
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 1600 ug/kg
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 68,275,1979

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Human Lymphocyte
DOSE/DURATION           : 52 umol/L
REFERENCE :
   SOGEBZ Soviet Genetics.  English translation of GNKAA5.  (Plenum Pub. Corp.,
   233 Spring St., New York, NY 10013)  V.2-    1966- Volume(issue)/page/year:
   10,1580,1974

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 25 mg/kg
SEX/DURATION            : male 5 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Fertility - pre-implantation mortality (e.g. reduction in
   number of implants per female; total number of implants per corpora lutea)
REFERENCE :
   PESTD5 Proceedings of the European Society of Toxicology.  (Amsterdam,
   Netherlands)  V.16-18, 1975-77.  Discontinued.  Volume(issue)/page/year:
   17,405,1976

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 2 mg/kg
SEX/DURATION            : male 5 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Fertility - male fertility index (e.g. # males impregnating
   females per # males exposed to fertile nonpregnant females)
REFERENCE :
   85GUAJ "Antifertility Compounds in the Male and Female," Jackson, H.,
   Springfield, IL, Charles C. Thomas, 1966  Volume(issue)/page/year: -,37,1966

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 500 ug/kg
SEX/DURATION            : female 13 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetal death
   Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
   DANND6 Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya B: Geologichini,
   Khimichni ta Biologichni Nauki.  Transactions of the Academy of Sciences of
   the Ukranian SSR, Series B. (V/O Mezhdunarodnaya Kniga, 113095, Moscow,
   USSR)  1976-  Volume(issue)/page/year: (3),59,1983

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECI

其他信息

生产方法:将乙撑亚胺、三乙胺和无水苯冷却至0℃以下，搅拌下滴加硫氯化磷和苯的溶液，温度控制在5℃以下，加毕，室温下搅拌2-3h，过滤。滤饼为三乙胺盐酸盐，用无水苯洗涤。洗、滤液合并，减压蒸去苯，残液加石油醚析出结晶，冷却过滤。结晶用石油醚重结晶，得成品塞替派。收率79.4%。
稳定性:Stable. Incompatible with strong oxidizing agents.
毒害物质数据:52-24-4(Hazardous Substances Data)
HazardClass:6.1(a)
用途:该品化学结构中的乙搅亚胺基能与细胞内DNA核碱基，如鸟嘌噙结合，从而使DNA变性，影响癌细胞的分裂。本品为细胞周期非特异性药物，对乳腺癌、卵巢癌有较好的疗效。对消化道腺癌、宫颈癌、甲状腺癌、肺癌和亚性黑色素瘤等也有一定疗效。
PackingGroup:II
MOL 文件:52-24-4.mol
NIST化学物质信息:Thiotepa(52-24-4)
EPA化学物质信息:Aziridine, 1,1',1''-phosphinothioylidynetris- (52-24-4)
RTECS号:SZ2975000
The unstable nitrogen-carbon groups alkylate with DNA which causes irreversible DNA damage. They stop tumor growth by crosslinking guanine nucleobases in DNA double-helix strands, directly attacking DNA. The DNA strands are unable to uncoil and separate which halts cell division.