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1,4-Pregnadiene-17alpha,21-diol-3,11,20-trione | 1192475-75-4

中文名称
——
中文别名
——
英文名称
1,4-Pregnadiene-17alpha,21-diol-3,11,20-trione
英文别名
17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione
1,4-Pregnadiene-17alpha,21-diol-3,11,20-trione化学式
CAS
1192475-75-4
化学式
C21H26O5
mdl
MFCD00669369
分子量
358.4
InChiKey
XOFYZVNMUHMLCC-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    1.5
  • 重原子数:
    26
  • 可旋转键数:
    2
  • 环数:
    4.0
  • sp3杂化的碳原子比例:
    0.666
  • 拓扑面积:
    91.7
  • 氢给体数:
    2
  • 氢受体数:
    5

ADMET

毒理性
  • 在妊娠和哺乳期间的影响
哺乳期使用概要:泼尼松在母乳中的含量非常低。在哺乳期使用任何皮质类固醇的报告中,没有对母乳喂养婴儿产生不良影响的记录。尽管通常建议在服药后4小时内避免哺乳,但由于泼尼松在乳汁中的水平非常低,这种操作并非必要。高剂量可能会偶尔导致暂时性的乳汁供应减少。 对母乳喂养婴儿的影响:在使用泼尼松或任何其他皮质类固醇时,没有报告对婴儿产生不良影响。在一项前瞻性随访研究中,六位哺乳母亲报告服用泼尼松(剂量未指定),婴儿未出现不良反应。有多份报告显示,母亲在长期使用皮质类固醇期间哺乳,婴儿未出现不良反应:泼尼松每日10毫克(2名婴儿)和泼尼松龙每日5至7.5毫克(14名婴儿)。 一名患有克罗恩病的妇女在分娩后立即在哺乳期间按递减方案使用泼尼松60毫克/日(具体程度未说明)。她还接受了产前和产后每日4克的磺胺类药物和每8周5毫克/公斤的英夫利昔单抗治疗。婴儿在6个月大时无症状,体重正常增长。 国家移植妊娠登记处报告,截至2013年12月,124名移植妇女在哺乳期间服用了泼尼松,共哺乳了169名婴儿,最长达48个月,未发现明显的婴儿伤害。 对泌乳和母乳的影响:截至修订日期,未找到有关泼尼松对血清催乳素或哺乳母亲泌乳影响的信息。然而,有报告称,将中到大剂量的皮质类固醇注射液注入关节会导致暂时性的泌乳减少。 一项对46名在34周妊娠前分娩的妇女的研究发现,如果在分娩前3至9天内给予另一种皮质类固醇(倍他米松,两次肌肉注射,每次11.4毫克,间隔24小时),会导致第二阶段泌乳延迟,并且在分娩后10天内的平均乳汁量减少。如果婴儿在母亲接受皮质类固醇后不到3天或多于10天分娩,乳汁量不会受到影响。等效剂量的泼尼松可能产生相同的效果。 一项对87名孕妇的研究发现,在孕期给予上述剂量的倍他米松会导致孕期乳糖分泌的过早刺激。尽管增加在统计学上显著,但临床意义似乎很小。等效剂量的泼尼松可能产生相同的效果。
◉ Summary of Use during Lactation:Amounts of prednisone in breastmilk are very low. No adverse effect have been reported in breastfed infants with maternal use of any corticosteroid during breastfeeding. Although it is often recommended to avoid breastfeeding for 4 hours after a dose this maneuver is not necessary because prednisone milk levels are very low. High doses might occasionally cause temporary loss of milk supply. ◉ Effects in Breastfed Infants:None reported with prednisone or any other corticosteroid. In a prospective follow-up study, six nursing mothers reported taking prednisone (dosage unspecified) with no adverse infant effects. There are several reports of mothers breastfeeding during long-term use of corticosteroids with no adverse infant effects: prednisone 10 mg daily (2 infants) and prednisolone 5 to 7.5 mg daily (14 infants). A woman with Crohn's disease used prednisone 60 mg daily in a tapering schedule immediately postpartum during breastfeeding (extent not stated). She also received sulfasalazine 4 grams daily and infliximab 5 mg/kg every 8 weeks during pregnancy and postpartum. At 6 months of age, the infant was asymptomatic with regular weight gain. The National Transplantation Pregnancy Registry reports that as of December 2013, 124 women with transplants have taken prednisone while breastfeeding 169 infants for periods as long as 48 months, with no apparent infant harm. ◉ Effects on Lactation and Breastmilk:Published information on the effects of prednisone on serum prolactin or on lactation in nursing mothers was not found as of the revision date. However, medium to large doses of depot corticosteroids injected into joints have been reported to cause temporary reduction of lactation. A study of 46 women who delivered an infant before 34 weeks of gestation found that a course of another corticosteroid (betamethasone, 2 intramuscular injections of 11.4 mg of betamethasone 24 hours apart) given between 3 and 9 days before delivery resulted in delayed lactogenesis II and lower average milk volumes during the 10 days after delivery. Milk volume was not affected if the infant was delivered less than 3 days or more than 10 days after the mother received the corticosteroid. An equivalent dosage regimen of prednisone might have the same effect. A study of 87 pregnant women found that betamethasone given as above during pregnancy caused a premature stimulation of lactose secretion during pregnancy. Although the increase was statistically significant, the clinical importance appears to be minimal. An equivalent dosage regimen of prednisone might have the same effect.
来源:Drugs and Lactation Database (LactMed)

文献信息

  • COMBINATIONS OF PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS FOR THE TREATMENT OF HEMATOPOIETIC MALIGNANCIES
    申请人:Ebens, JR. Allen J.
    公开号:US20100233164A1
    公开(公告)日:2010-09-16
    Combinations of PI3K inhibitor compounds having Formula I and chemotherapeutic agents, including stereoisomers, geometric isomers, tautomers, metabolites and pharmaceutically acceptable salts thereof, are useful for treating hematopoietic malignancies. Methods of using such combinations for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions, are disclosed.
    具有I式的PI3K抑制剂化合物及其立体异构体、几何异构体、互变异构体、代谢产物和药学上可接受的盐的组合物,可用于治疗造血恶性肿瘤。本文披露了使用这种组合物在哺乳动物细胞中进行体外、体内和原位诊断、预防或治疗此类疾病或相关病理条件的方法。
  • [EN] METHODS FOR STEREOSELECTIVE REDUCTION<br/>[FR] PROCÉDÉS DE RÉDUCTION STÉRÉOSÉLECTIVE
    申请人:INFINITY PHARMACEUTICALS INC
    公开号:WO2009086451A1
    公开(公告)日:2009-07-09
    The invention is directed to a method to reduce a C-C double bond of an enone of a steroidal compound to produce a mixture of β ketone product and α ketone product, comprising treating a solution or suspension of the steroidal compound in a solvent with hydrogen gas in the presence of a catalyst and a substituted pyridine.
    本发明涉及一种方法,用于还原类固醇化合物的烯酮的C-C双键,以产生β酮产物和α酮产物的混合物,包括在催化剂和取代吡啶的存在下,用氢气处理类固醇化合物在溶剂中的溶液或悬浮液。
  • Transmucosal administration of 2,3-dimethoxy-5-methyl-6-(10-hydroxydecyl)-1,4-benzoquinone
    申请人:Santhera Pharmaceuticals (Schweiz) AG
    公开号:EP1891946A1
    公开(公告)日:2008-02-27
    Use of idebenone for the preparation of a medicament for transmucosal administration.
    使用艾地苯醌制备经粘膜给药的药物。
  • METHODS FOR STEREOSELECTIVE REDUCTION OF CYCLOPAMINE 4-EN-3-ONE DERIVATIVE
    申请人:Infinity Pharmaceuticals, Inc.
    公开号:EP3190121A1
    公开(公告)日:2017-07-12
    The invention is directed to a method to reduce a C-C double bond of an enone of a steroidal compound to produce a mixture of beta ketone product and alpha ketone product, comprising treating a solution or suspension of the steroidal compound in a solvent with hydrogen gas in the presence of a catalyst and substituted pyridine.
    本发明涉及一种还原甾体化合物烯酮的 C-C 双键以生成β酮产物和α酮产物混合物的方法,包括在催化剂和取代的吡啶存在下,用氢气处理该甾体化合物在溶剂中的溶液或悬浮液。
  • TRANSMUCOSAL ADMINISTRATION OF 2-(10-HYDROXYDECYL)-5,6-DIMETHOXY-3-METHYL-2,5-CYCLOHEXADIENE-1,4-DIONE (IDEBENONE)
    申请人:Santhera Pharmaceuticals (Schweiz) AG
    公开号:EP2051706B1
    公开(公告)日:2016-05-11
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表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
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cnmr
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  • 峰位数据
  • 峰位匹配
  • 表征信息
Shift(ppm)
Intensity
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Assign
Shift(ppm)
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测试频率
样品用量
溶剂
溶剂用量
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