Piperazine, 1-acetyl-4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-, cis- 顺-1-乙酰基-4-[4-[[2-(2,4-二氯苯基)-2-(1H-咪唑-1-基甲基)-1,3-二氧戊环-4-基]甲氧基]苯基]哌嗪

CAS 65277-42-1 MFCD00058579

化学结构图

65277-42-1
SMILES: [3H]C([3H])([3H])C(=O)N1C([3H])([3H])C([3H])([3H])N(C2=C([3H])C([3H])=C(OC([3H])([3H])[C@@]3([3H])O[C@@](OC3([3H])[3H])(C3=C(Cl)C([3H])=C(Cl)C([3H])=C3[3H])C([3H])([3H])N3C([3H])=NC([3H])=C3[3H])C([3H])=C2[3H])C([3H])([3H])C1([3H])[3H] |&1:24,27|

化学属性

Mol. FormulaC26H28Cl2N4O4
Mol. Weight531
TSCANo
Melting Point148-152

别名和识别编码

Chemical NamePiperazine, 1-acetyl-4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-, cis-
MDL NumberMFCD00058579
CAS Number65277-42-1
Synonym (±)-cis-1-Acetyl-4-(4-[(2-[2,4-dichlorophenyl]-2-[1H-imidazol-1-ylmethyl]-1,3-dioxolan-4-yl)-methoxy]phenyl)piperazine ()-cis-1-Acetyl-4-(4-[(2-[2,4-dichlorophenyl]-2-[1H-imidazol-1-ylmethyl]-1,3-dioxolan-4-yl)-methoxy]phenyl)piperazine (±)-cis-​1-​Acetyl-​4-​(4-​[(2-​[2,4-​dichlorophenyl]​-​2-​[1H-​imidazol-​1-​ylmethyl]​-​1,3-​dioxolan-​4-​yl)​-​methoxy]​phenyl)​piperazine Fungarest KW-1414 Ketoconazol Ketoderm Nizoral Orifungal M Panfungol R 41400
PubChem Substance ID87560321
EC Number265-667-4
Merck Number5302
Reaxys-RN5488107
Chemical Name Translation顺-1-乙酰基-4-[4-[[2-(2,4-二氯苯基)-2-(1H-咪唑-1-基甲基)-1,3-二氧戊环-4-基]甲氧基]苯基]哌嗪
Beilstein Registry Number5488107
Wiswesser Line NotationT6N DNTJ AV1 DR DO1- DT5O COTJ BR BG DG& B1- AT5N CNJ
LabNetwork Molecule IDLN01294533
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分类

  • {SNA} Antibiotics A
  • {SNA} Antibiotics, Antibiotics A to Z, Antibiotics G-M, Antifungal, Application Index, Cell Signaling Enzymes, Chemical Structure Class, Core Bioreagents, Imidazoles, Immune Cell Signaling and Blood, Immune System Regulation, Immunomodulators and Antibiotics,

相关文献及参考

  • [2]. Eil C. Ketoconazole binds to the human androgen receptor. Horm Metab Res. 1992 Aug;24(8):367-70.
  • [3]. Muindi JR et al. CYP24A1 inhibition enhances the antitumor activity of calcitriol. Endocrinology. 2010 Sep;151(9):4301-12.
  • [4]. Amrita Datta, et al. High-throughput screening identified selective inhibitors of exosome biogenesis and secretion: A drug repurposing strategy for advanced cancer. Sci Rep. 2018 May 25;8(1):8161.
  • [1]. Seif El-Din SH, et al. Effect of ketoconazole, a cytochrome P450 inhibitor, on the efficacy of quinine and halofantrine against Schistosoma mansoni in mice. Korean J Parasitol. 2013 Apr;51(2):165-75.
  • [1]. Seif El-Din SH, et al. Effect of ketoconazole, a cytochrome P450 inhibitor, on the efficacy of quinine and halofantrine against Schistosoma mansoni in mice. Korean J Parasitol. 2013 Apr;51(2):165-75.
  • [2]. Eil C. Ketoconazole binds to the human androgen receptor. Horm Metab Res. 1992 Aug;24(8):367-70.
  • {M

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • H360 May damage fertility or the unborn child 可能对生育能力或未出生婴儿造成伤害
  • H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
  • H373 May causes damage to organs through prolonged or repeated exposure 长期或频繁接触可能会损伤器官
Personal Protective Equipment Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
RTECSTK7912300
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • 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。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P301+P310
  • P301+P310+P330
  • P308+P313
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
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）；
  • S53 Avoid exposure - obtain special instructions before use 避免接触，使用前获得特别指示说明；
  • 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；
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；
Hazard Codes 6.1 T,N
Risk Statements
  • R25 Toxic if swallowed 吞咽有毒
  • R48/22
  • R50/53
  • R60 May impair fertility 可能降低生殖能力
Packing GroupIII
UN Number 2811
Storage condition 0-10 0-10°C
Hazard Class6.1 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 23300 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   MDACAP Medicamentos de Actualidad.  (J.R. Prous, S.A., Apartado de Correos
   540, 08080 Barcelona, Spain)  V.1-    1965-  Volume(issue)/page/year:
   17,373,1981

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : 23300 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   MDACAP Medicamentos de Actualidad.  (J.R. Prous, S.A., Apartado de Correos
   540, 08080 Barcelona, Spain)  V.1-    1965-  Volume(issue)/page/year:
   17,373,1981

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 178 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   MDACAP Medicamentos de Actualidad.  (J.R. Prous, S.A., Apartado de Correos
   540, 08080 Barcelona, Spain)  V.1-    1965-  Volume(issue)/page/year:
   17,373,1981

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 86 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   DRUGAY Drugs. International Journal of Current Therapeutics and Applied
   Pharmacology Reviews.  (ADIS Press International Inc., Suite B-30, Oxford
   Ct. Business Center, 582 Middletown Blvd., Langhorne, PA 19047)  V.1- 1971- 
   Volume(issue)/page/year: 23,1,1982

TYPE OF TEST

TYPE OF TEST            : DNA inhibition
TEST SYSTEM             : Human Cells - not otherwise specified
DOSE/DURATION           : 1 umol/L
REFERENCE :
   TUMOAB Tumori.  (Casa Editrice Ambrosiana, Via G. Frua 6, 20146 Milan,
   Italy)  V.1-    1911-  Volume(issue)/page/year: 77,385,1991

TYPE OF TEST            : DNA inhibition
TEST SYSTEM             : Human Lymphocyte
DOSE/DURATION           : 10 mg/L
REFERENCE :
   AMACCQ Antimicrobial Agents and Chemotherapy.  (American Soc. for
   Microbiology, 1913 I St., NW, Washington, DC 20006)  V.1-    1972-
   Volume(issue)/page/year: 24,478,1983

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 6480 mg/kg
SEX/DURATION            : male 9 week(s) pre-mating
                          female 2 week(s) pre-mating  - 7 day(s) after
                          conception
TOXIC EFFECTS :
   Reproductive - Fertility - mating performance (e.g. # sperm positive females
   per # females mated; # copulations per # estrus cycles)
   Reproductive - Fertility - female fertility index (e.g. # females pregnant
   per # sperm positive females; # females pregnant per # females mated)
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: 18,1433,1984

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - man
DOSE                    : 1029 mg/kg
SEX/DURATION            : male 60 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Paternal Effects - other effects on male
   Endocrine - androgenic
REFERENCE :
   ACENA7 Acta Endocrinologica (Copenhagen).  (Periodica, Skolegade 12 E,
   DK-2500 Valby, Denmark) V.1-    1948-  Volume(issue)/page/year: 110,276,1985

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 600 mg/kg
SEX/DURATION            : male 3 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Paternal Effects - spermatogenesis (incl. genetic material,
   sperm morphology, motility, and count)
   Reproductive - Fertility - male fertility index (e.g. # males impregnating
   females per # males exposed to fertile nonpregnant females)
REFERENCE :
   CCPTAY Contraception.  (Geron-X, Inc., POB 1108, Los Altos, CA 94022)  V.1-
   1970-  Volume(

系列性分类

  1. Life Science 生命科学
  2. Antibiotics 抗生素
  3. Antibiotics A to Z - Antibiotics
  4. Antibiotics G-M - Antibiotics A to Z
  1. Life Science 生命科学
  2. Cell Biology 细胞生物学
  3. Bioactive Small Molecules - Cell Biology
  4. K - Bioactive Small Molecules
  1. Life Science 生命科学
  2. Cell Biology 细胞生物学
  3. Cell Signaling and Neuroscience - Cell Biology
  4. Immune Cell Signaling and Blood - Cell Signaling and Neuroscience
  5. Immune System Regulation - Immune Cell Signaling and Blood
  6. Immunomodulators and Antibiotics - Immune System Regulation
  1. Medical Research Areas
  2. GPCR & G Protein
  3. Ras  (Ras蛋白)
  1. Medical Research Areas
  2. Metabolism
  3. Cytochrome P450  (细胞色素P450)

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