1-Naphthalenemethanamine, N-[(2E)-6,6-dimethyl-2-hepten-4-yn-1-yl]-N-methyl-, hydrochloride (1:1) 特比奈酚盐酸盐

CAS 78628-80-5 MFCD00145430

化学结构图

78628-80-5
SMILES: Cl.CN(CC1C=CC=C2C=CC=CC=12)C/C=C/C#CC(C)(C)C

化学属性

Mol. FormulaC21H25N·HCl
Mol. Weight327.90
Density1.422

别名和识别编码

Chemical Name1-Naphthalenemethanamine, N-[(2E)-6,6-dimethyl-2-hepten-4-yn-1-yl]-N-methyl-, hydrochloride (1:1)
CAS Number78628-80-5
Synonym
MDL NumberMFCD00145430
Reaxys-RN5660449
PubChem Substance ID87568500
Merck Number9156
EC Number250-023-7
Beilstein Registry Number5660449
Chemical Name Translation特比奈酚盐酸盐
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分类

  • {SA} Antibiotics, Antibiotics A to Z, Antibiotics T-Z, Antifungal, Antimycobacterial, Biochemicals and Reagents, Enzyme Inhibitors, Enzyme Inhibitors by Enzyme, Enzymes, Inhibitors, and Substrates, Inhibits an Enzyme, Mechanism of Action, R to Z, Spectrum of Activity, Squalene Epoxidase
  • {SNA} Antibiotics, Antibiotics A to Z, Antibiotics T-Z, Antifungal, Antimycobacterial, Biochemicals and Reagents, Enzyme Inhibitors, Enzyme Inhibitors by Enzyme, Enzymes, Inhibitors, and Substrates, Inhibits an E
  • Pharmaceuticals
  • Amines
  • Aromatics
  • Intermediates & Fine Chemicals,

产品应用

  • An orally active, antimycotic allylamine related to Naftifine. A specfic inhibitor of squalene epoxidase, a key enzyme in fungal ergosterol biosynthesis. Antifungal.

相关文献及参考

  • Petranyi, G., et al.: Science, 224, 1239 (1984),
  • Ryder, N.S., et al.: Antimicrob. Agents Chemother., 27, 252 (1985),
  • Evans, E.G.V., et al.: Br. Med. J., 318, 1031 (1999),
  • Petranyi, G., et al., Antifungal activity of the allylamine derivative terbinafine in vitro . Antimicrob. Agents Chemother. 31 , 1365-8, (1987) 摘要
  • Balfour, J.A. and Faulds, D., Terbinafine. A review of its pharmacodynamic and pharmacokinetic properties, and therapeutic potential in superficial mycoses. Drugs 43 , 259-84, (1992) 摘要
  • Merck 14 ,9156

安全信息

GHS Symbol
WGK Germany3
Precautionary statements
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Hazard Codes
RTECSQJ8600100
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Safety Statements
  • 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；
  • 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；
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
UN Number
Packing GroupIII 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >2 gm/kg
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - ptosis
   Behavioral - ataxia
   Blood - changes in spleen
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: 24,7888,1990

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >2 gm/kg
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - ptosis
   Behavioral - ataxia
   Blood - changes in spleen
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: 24,7922,1990

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - woman
DOSE/DURATION           : 210 mg/kg/6W-I
TOXIC EFFECTS :
   Sense Organs and Special Senses (Taste) - change in function
REFERENCE :
   LANCAO Lancet.  (7 Adam St., London WC2N 6AD, UK)  V.1-    1823-
   Volume(issue)/page/year: 339,1483,1992

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >2 gm/kg
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - ptosis
   Behavioral - ataxia
   Blood - changes in spleen
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: 24,7922,1990

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 3960 mg/kg
SEX/DURATION            : female 7-17 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Maternal Effects - other effects
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: 24,7925,1990

系列性分类

  1. Life Science 生命科学
  2. Biochemicals and Reagents 生化试剂
  3. Enzymes, Inhibitors, and Substrates - Biochemicals and Reagents
  4. Enzyme Inhibitors - Enzymes, Inhibitors, and Substrates
  5. Enzyme Inhibitors by Enzyme - Enzyme Inhibitors
  6. R to Z - Enzyme Inhibitors by Enzyme
  7. Squalene Epoxidase - R to Z
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Acetylenes 炔烃

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