CAS 17902-23-7 MFCD00012351-Tegafur 替加氟 TAO{mole}

Tegafur 替加氟

CAS 17902-23-7 MFCD00012351

化学结构图

SMILES: O=c1[nH]c(=O)n(C2CCCO2)cc1F

化学属性

Mol. Formula	C8
Mol. Weight	200
Melting Point	168-171
Density	1.422
Appearance	Solid powder
Solubility	Soluble in DMSO, not in water

别名和识别编码

Chemical Name	Tegafur
CAS Number	17902-23-7
Synonym	1-(2-Tetrahydroformyl)-5-fluorouracil, FT 207, NSC 148958 1-(2-Tetrahydrofuryl)-5-fluorouracil 1-(Tetrahydro-2-furanyl)-5-fluoro-2,4-pyrimidinedione 1-(Tetrahydro-2-furanyl)-5-fluorouracil 5-Fluor-1-(tetrahydro-2-furyl)-uracil 5-Fluoro-1-(2-tetrahydrofuranyl)uracil 5-Fluoro-1-(tetrahydro-2'-furyl)uracil 5-Fluoro-1-(tetrahydro-2-furanyl)-2,4-pyrimidinedione 5-Fluoro-1-(tetrahydro-2-furyl)uracil Ftora 5-Fluoro-1-(tetrahydro-3-furyl)uracil Citofur Coparogin Exonal FT 207 Fental Fluaid Fluorafur Fulaid Furflucil Furofutran Futraful N1-(2'-Tetrahydrofura N1-(2'-Tetrahydrofuryl)-5-fluorouracil Phthorafur Tegafur Uracil, 5-fluoro-1-(tetrahydro-2-furyl)- oral f
MDL Number	MFCD00012351
PubChem Substance ID	87559743
EC Number	241-846-2
Reaxys-RN	525766
Beilstein Registry Number	525766
Merck Number	9112
Chemical Name Translation	替加氟
Wiswesser Line Notation	T6NVMVJ EF A- BT5OTJ
LabNetwork Molecule ID	LN01745202
Formula	C8H9FN2O3
IUPAC Name	5-fluoro-1-(tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione
InChIKey	WFWLQNSHRPWKFK-UHFFFAOYSA-N
InChI	InChI=1S/C8H9FN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h4,6H,1-3H2,(H,10,12,13)
Canonical SMILES	O=C1NC(C(F)=CN1C2OCCC2)=O

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产品应用

Tegafur (INN) is a chemotherapeutic 5-FU prodrug used in the treatment of cancers. It is a component of tegafur-uracil. When metabolized, it becomes 5-FU. T egafur-uracil is a formulated therapeutic oral agent consisting of a combination of the 5-fluorouracil (5-FU) congener prodrug tegafur (tetrahydrofuranyl-5-fluorouracil) and uracil (1:4). The high concentration of uracil reversibly inhibits the uracil-reducing enzyme dihydropyrimidine dehydrogenase (DPD), thereby inhibiting first-pass DPD-mediated hepatic metabolism of the uracil analogue 5-FU and permitting administration of 5-FU as the orally bioavailable prodrug tegafur. Tegafur is bioactivated to 5-FU by liver microsomal cytochrome P450 enzymes.

安全信息

WGK Germany3

GHS Symbol

Precautionary statements

P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
P301+P310
P301+P310+P330
P305+P351+P338
P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
P314 Get medical advice/attention if you feel unwell. 获取医疗咨询/就医，如果你觉得不舒服
P405 Store locked up. 上锁保管。
P501 Dispose of contents/container to..… 处理内容物/容器.....

Hazard statements

H331 Toxic if inhaled 吸入中毒
H311 Toxic in contact with skin 皮肤接触中毒
H301 Toxic if swallowed 吞食有毒
H300 Fatal if swallowed 吞食致命

RTECSYR0450000

Signal word Danger

Personal Protective Equipment Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges

Hazard Codes 6.1 T

Safety Statements

S22 Do not breathe dust 不要吸入粉尘；
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；
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；
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）；

Risk Statements

R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入，皮肤接触及吞食都有毒
R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性

UN Number 2811

Packing GroupII

Hazard Class6.1

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - man
DOSE/DURATION           : 11046 mg/kg/4.7Y-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Gastrointestinal - tumors
REFERENCE :
   ARSUAX Archives of Surgery (Chicago).  (AMA, 535 N. Dearborn St., Chicago,
   IL 60610)  V.1-61, 1920-50; V.81-    1960-  Volume(issue)/page/year:
   118,1454,1983

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - man
DOSE/DURATION           : 197 mg/kg/23D-I
TOXIC EFFECTS :
   Brain and Coverings - encephalitis
   Behavioral - muscle contraction or spasticity
   Behavioral - antipsychotic
REFERENCE :
   IEDIEP Internal Medicine.  (The Japanese Society of Internal Medicine, 34-3,
   3-chome, Hongo, Bunkyo-ku, Tokyo 113, Japan)  V.31-    1992-
   Volume(issue)/page/year: 31,828,1992

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Human
DOSE/DURATION           : 640 mg/kg/8D
TOXIC EFFECTS :
   Behavioral - hallucinations, distorted perceptions
   Vascular - BP lowering not characterized in autonomic section
   Gastrointestinal - nausea or vomiting
REFERENCE :
   CANCAR Cancer (Philadelphia).  (Lippincott/Harper, Journal Fulfillment
   Dept., 2350 Virginia Ave., Hagerstown, MD 21740)  V.1-    1948-
   Volume(issue)/page/year: 36,103,1975

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Human
DOSE/DURATION           : 23 mg/kg
TOXIC EFFECTS :
   Behavioral - hallucinations, distorted perceptions
REFERENCE :
   CANCAR Cancer (Philadelphia).  (Li

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : 34 mg/kg
TOXIC EFFECTS :
   Behavioral - tremor
   Vascular - other changes
   Gastrointestinal - nausea or vomiting
REFERENCE :
   OYYAA2 Oyo Yakuri.  Pharmacometrics.  (Oyo Yakuri Kenkyukai, CPO Box 180,
   Sendai 980-91, Japan) V.1-    1967-  Volume(issue)/page/year: 20,1009,1980

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED

{ha

TYPE OF TEST            : Mutation test systems - not otherwise specified
TEST SYSTEM             : Human HeLa cell
DOSE/DURATION           : 200 mg/L
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 22,1096,1979

TYPE OF TEST            : Mutation test systems - not otherwise specified
ROUTE OF EXPOSURE       : Intravenous
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 60 mg/kg
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   36,

TYPE OF TEST            : Micronucleus test
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 320 mg/kg
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 291,29,1993

TYPE OF TEST            : Specific locus test
ROUTE OF EXPOSURE       : Multiple routes
TEST SYSTEM             : Insect - Drosophila melanogaster

TYPE OF TEST            : Cytogenetic analysis
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 40 mg/kg
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 88,301,1981

TYPE OF TEST            : Unscheduled DNA synthesis
ROUTE OF EXPOSURE       : Intravenous
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 60 mg/kg
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   36,33,1976

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 810 mg/kg
SEX/DURATION            : female 17-22 day(s) after conception
                          lactating female 21 day(s) post-birth
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - urogenital system
   Reproductive - Effects on Newborn - behavioral
REFERENCE :
   OYYAA2 Oyo Yakuri.  Pharmacometrics.  (Oyo Yakuri Kenkyukai, CPO Box 180,
   Sendai 980-91, Japan) V.1-    1967-  Volume(issue)/page/year: 22,109,1981

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 210 mg/kg
SEX/DURATION            : female 6-12 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
   Reproductive - Effects on Embryo or Fetus - fetal death
   Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
   OYYAA2 Oyo Yakuri.  Pharmacometrics.  (Oyo Yakuri Kenkyukai, CPO Box 180,
   Sendai 980-91, Japan) V.1-    1967-  Volume(issue)/page/year: 5,555,1971

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 550 mg/kg
SEX/DURATION            : female 7-17 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - extra-embryonic structures
   (e.g., placenta, umbilical cord)
REFERENCE :
   KSRNAM Kiso to Rinsho.  Clinical Report.  (Yubunsha Co., Ltd., 1-5, Kanda
   Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan)  V.1-    1960-
   Volume(issue)/page/year: 14,1373,1980

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

Storage condition Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).