2-Methyl-1,2-Di(Pyridin-3-Yl)Propan-1-One 2-甲基1,2-二(吡啶-3-基)丙-1-酮

CAS 54-36-4 MFCD00006397

化学结构图

54-36-4
SMILES: CC(C)(C(=O)C1C=NC=CC=1)C1C=NC=CC=1

化学属性

Mol. FormulaC14 H14 N2 O
Mol. Weight226.27
Melting Point48-51ºC
Boiling Point
Flash Point-

别名和识别编码

Chemical Name2-Methyl-1,2-Di(Pyridin-3-Yl)Propan-1-One
MDL Number-
CAS Number54-36-4
Synonym 1,2-Di-3-pyridyl-2-methyl-1-propanone 1-Propanone, 1,2-di-3-pyridyl-2-methyl- 1-Propanone, 2-methyl-1,2-di-3-pyridinyl- 2-Methyl-1,2-bis(3-pyridyl)-1-propane 2-Methyl-1,2-di-3-pyridinyl-1-propanone 2-甲基-1,2-二-3-吡啶基-1-丙酮 2-甲基-1,2-二-3-吡啶基-1-丙酮 Su-4885 美替拉酮 Mepyrapone Methapyrapone Methopirapone Methopyrapone Methopyrinine Methopyrone Metopiron Metopirone Metopyrone Metyrapon Metyrapone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID24888424
EC Number200-206-2
Beilstein Registry Number163023
Chemical Name Translation2-甲基1,2-二(吡啶-3-基)丙-1-酮
Wiswesser Line NotationT6NJ CX1&1&V- CT6NJ
LabNetwork Molecule IDLN00239859
Canonical SMILES-
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分类

  • {SNA} Approved Therapeutics/Drug Candidates,
  • {SNA} Approved Therapeutics/Drug Candidates, Bioactive Small Molecules, Cell Signaling and Neuroscience, Corticosteroid, Cytokines, Growth Factors and Hormones, Hormones, M, Novartis, Steroid Hormones, 细胞生物学
  • {SNA} Approved Therapeutics/Drug Candidates, Bioactive Small Molecule Alphabetical Index, Corticosteroid, Cytokines, Growth Factors and Hormones,
  • {SNA} Approved Therapeutics/Drug Candidates, Bioactive Small Molecules, Cell Biology, Cell Signaling and Neuroscience, Corticosteroid, Cytokines, Growth Factors and Hormones, Hormones, M, Novartis, Steroid Hormones
  • {SNA} Building Blocks,
  • {SNA} Building Blocks,

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
RTECSUC3050000
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
Signal word Warning
Safety Statements
  • 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；
Hazard Codes Xn
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R22 Harmful if swallowed 吞咽有害
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 531 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CKFRAY Ceskoslovenska Farmacie.  (PNS-Ustredni Expedice a Dovoz Tisku,
   Kafkova 19, 160 00 Prague 6, Czechoslovakia)  V.1-    1952-
   Volume(issue)/page/year: 26,140,1977

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 521 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NIIRDN Drugs in Japan (Ethical Drugs).  (Yakugyo Jiho Co., Ltd., Tokyo,
   Japan)  Volume(issue)/page/year: 6,827,1982

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 300 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 146,395,1964

TYPE OF TEST            : Mutation test systems - not otherwise specified
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Mammal - dog
DOSE/DURATION           : 800 mg/kg/40D (Continuous)
REFERENCE :
   FOBGA8 Folia Biologica (Krakow).  (Ars Polona, POB 1001, 00-068 Warsaw 1,
   Poland)  V.1-    1953-  Volume(issue)/page/year: 27,277,1979

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 2160 mg/kg
SEX/DURATION            : female 8-19 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Maternal Effects - uterus, cervix, vagina
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
REFERENCE :
   CUSCAM Current Science.  (Current Science Assoc., Sadashivanagar P.O.,
   Bangalore 560 080, India) V.1-    1932-  Volume(issue)/page/year:
   39,184,1970

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 270 mg/kg
SEX/DURATION            : female 19-21 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
   Reproductive - Specific Developmental Abnormalities - respiratory system
   Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4
   per # born alive)
REFERENCE :
   PEREBL Pediatric Research.  (Williams & Wilkins Co., 428 E. Preston St.,
   Baltimore, MD 21202) V.1-    1967-  Volume(issue)/page/year: 20,672,1986

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Mammal - dog
DOSE                    : 800 mg/kg
SEX/DURATION            : male 40 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Paternal Effects - spermatogenesis (incl. genetic material,
   sperm morphology, motility, and count)
   Reproductive - Paternal Effects - testes, epididymis, sperm duct
   Reproductive - Paternal Effects - other effects on male
REFERENCE :
   FOBGA8

Storage condition +4°C 4 4°C 4℃

系列性分类

  1. Life Science 生命科学
  2. Cell Biology 细胞生物学
  3. Cell Signaling and Neuroscience - Cell Biology
  4. Approved Therapeutics/Drug Candidates - Cell Signaling and Neuroscience
  5. Novartis - Approved Therapeutics/Drug Candidates
  1. C13 to C40 - Pyridines
  1. C6 to C7 - Pyridines
  1. Medical Research Areas
  2. Metabolism
  3. Cytochrome P450  (细胞色素P450)

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