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5,5,6,6,8,8-六羟基-2,2,3,3-四甲基-2H,2H-9,9-bi苯并[g]色烯-4,4(3h,3h)-二酮

用途

Chaetochromin A (Compound 1) 是一种真菌代谢产物。Chaetochromin A 具有 A 型肉毒杆菌神经毒素 (BoNT A) 的抑制作用 (IC50=24.6 μM)。

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名称

[ CAS 号 ]:
75514-37-3

[ 中文名 ]:
5,5,6,6,8,8-六羟基-2,2,3,3-四甲基-2H,2H-9,9-bi苯并[g]色烯-4,4(3h,3h)-二酮

[ 英文名 ]:
CHAETOCHROMIN A

[英文别名 ]:

Chaetochromin
Bis(naphthodihydropyran-4-one)
Chaetochromin B
Chaetochromin A

生物活性

[ 描述 ]:

Chaetochromin A (Compound 1) 是一种真菌代谢产物。Chaetochromin A 具有 A 型肉毒杆菌神经毒素 (BoNT A) 的抑制作用 (IC50=24.6 μM)。

[ 相关类别 ]:

信号通路 >> 其他 >> 其他

研究领域 >> 神经疾病

[ 靶点 ]

24.6 μM (BoNT A)[1]

[参考文献]

[1]. Cardellina JH 2nd, et al. Fungal bis-Naphthopyrones as Inhibitors of Botulinum Neurotoxin Serotype A. ACS Med Chem Lett. 2012 Apr 2;3(5):387-91.

物理化学性质

[ 密度 ]:
1.508g/cm3

[ 沸点 ]:
718.5ºC at 760 mmHg

[ 分子式 ]:
C₃₀H₂₆O₁₀

[ 分子量 ]:
546.52

[ 闪点 ]:
237.5ºC

[ 精确质量 ]:
546.15300

[ PSA ]:
173.98000

[ LogP ]:
5.09300

[ 折射率 ]:
1.729

毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DU3121500

CHEMICAL NAME :: (9,9'-Bi-4H-naphtho(2,3-b)pyran)-4,4'-dione, 2,2',3,3'-tetrahydro-5,5',6,6',8,8'-hexahydroxy- 2,2',3,3'-tetramethyl-

CAS REGISTRY NUMBER :: 75514-37-3

LAST UPDATED :: 199309

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C30-H26-O10

MOLECULAR WEIGHT :: 546.56

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 400 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: MAIKD3 Maikotokishin (Tokyo). Mycotoxin. (Maikotokishin Kenkyukai, c/o Tokyo Rika Daigaku Yakugakubu, 12 Funagawara-machi, Ichigaya, Shinjuku-ku, Tokyo 162, Japan) No.1- 1975- Volume(issue)/page/year: (12),28,1980

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 5 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: MAIKD3 Maikotokishin (Tokyo). Mycotoxin. (Maikotokishin Kenkyukai, c/o Tokyo Rika Daigaku Yakugakubu, 12 Funagawara-machi, Ichigaya, Shinjuku-ku, Tokyo 162, Japan) No.1- 1975- Volume(issue)/page/year: (12),28,1980

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >80 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: MAIKD3 Maikotokishin (Tokyo). Mycotoxin. (Maikotokishin Kenkyukai, c/o Tokyo Rika Daigaku Yakugakubu, 12 Funagawara-machi, Ichigaya, Shinjuku-ku, Tokyo 162, Japan) No.1- 1975- Volume(issue)/page/year: (12),28,1980 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 64800 ug/kg

SEX/DURATION :: female 1-18 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Specific Developmental Abnormalities - Central Nervous System

REFERENCE :: BECTA6 Bulletin of Environmental Contamination and Toxicology. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 07094) V.1- 1966- Volume(issue)/page/year: 39,299,1987

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 21600 ug/kg

SEX/DURATION :: female 1-18 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)

REFERENCE :: BECTA6 Bulletin of Environmental Contamination and Toxicology. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 07094) V.1- 1966- Volume(issue)/page/year: 39,299,1987