6α-bromo-cholest-4-en-3-one | 3464-62-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 6α-bromo-cholest-4-en-3-one
• 英文别名: 6α-Brom-cholest-4-en-3-on；(6S,8S,9S,10R,13R,14S,17R)-6-bromo-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
• CAS: 3464-62-8
• 化学式: C₂₇H₄₃BrO
• 分子量: 463.542
• InChiKey: SMYHXVUYHYXRCN-FQIKLQBFSA-N

物化性质

• 熔点：
  109-111 °C(Solv: ethyl acetate (141-78-6); methanol (67-56-1))
• 沸点：
  513.0±39.0 °C(Predicted)
• 密度：
  1.14±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.7
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  6α-bromo-cholest-4-en-3-one 、 2,4-二硝基苯肼 在 盐酸 、 甲醇 作用下， 生成 6ξ-methoxy-cholest-4-en-3-one-(2,4-dinitro-phenylhydrazone)
  参考文献：
  名称：

  Viruses associated with outbreaks of equine respiratory disease in New Zealand

  摘要：

  AIM: To identify viruses associated with respiratory disease in young horses in New Zealand.METHODS: Nasal swabs and blood samples were collected from 45 foals or horses from five separate outbreaks of respiratory disease that occurred in New Zealand in 1996, and from 37 yearlings at the time of the annual yearling sales in January that same year. Virus isolation from nasal swabs and peripheral blood leukocytes (PBL) was undertaken and serum samples were tested for antibodies against equine herpesviruses (EHV-1, EHV-2, EHV-4 and EHV-5), equine rhinitis-A virus (ERAV), equine rhinitis-B virus (ERBV), equine adenovirus 1 (EAdV-1), equine arteritis virus (EAV), reovirus 3 and parainfluenza virus type 3 (PIV3).RESULTS: Viruses were isolated from 24/94 (26%) nasal swab samples and from 77/80 (96%) PBL samples collected from both healthy horses and horses showing clinical signs of respiratory disease. All isolates were identified as EHV-2, EHV-4, EHV-5 or untyped EHV Of the horses and foals tested, 59/82 (72%) were positive for EHV-1 and/or EHV-4 serum neutralising (SN) antibody on at least one sampling occasion, 52/82 (63%) for EHV-1-specific antibody tested by enzyme-linked immunosorbent assay (ELISA), 10/80 (13%) for ERAV SN antibody, 60/80 (75%) for ERBV SN antibody, and 42/80 (53%) for haemagglutination inhibition (HI) antibody to EAdV-1. None of the 64 serum samples tested were positive for antibodies to EAV, reovirus 3 or PIV3. Evidence of infection with all viruses tested was detected in both healthy horses and in horses showing clinical signs of respiratory disease. Recent EHV 2 infection was associated with the development of signs of respiratory disease among yearlings [relative risk (RR) = 2.67, 95% CI = 1.59-4.47, p = 0.0171].CONCLUSIONS: Of the equine respiratory viruses detected in horses in New Zealand during this study, EHV 2 was most likely to be associated with respiratory disease. However, factors other than viral infection are probably important in the development of clinical signs of disease.

  DOI：

  10.1080/00480169.2002.36299
• 作为产物：
  描述：

  6,β-bromo-4-cholesten-3-one 在 ion-exchange resin + form> 作用下， 以 氯仿 为溶剂， 生成 6α-bromo-cholest-4-en-3-one
  参考文献：
  名称：

  Gawronski,J., Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques, 1977, vol. 25, # 1, p. 9 - 17

  摘要：

  DOI：

文献信息

• Silver(1) ion catalyzed substitution reactions: stereoelectronic control in an SN1 mechanism
  作者：Toshitaka Koga、Yasuyoshi Nogami

  DOI：10.1016/s0040-4039(01)81831-1

  日期：1981.1

  Stereochemistry of the acetolysis of 4-, 6α- and 6β-bromocholest-4-en-3-ones using silver acetate was established, and the reactions were interpreted to proceed via a stereoelectronically controlled SN1 mechanism.

  的4-，6α-和乙酸水解的立体化学6β-bromocholest -4-烯-3-酮成立使用醋酸银，并且反应被解释经由控制stereoelectronically s到继续Ñ 1机构。