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3,5,3'-Trijodothyronin (T3) | 3130-96-9

中文名称
——
中文别名
——
英文名称
3,5,3'-Trijodothyronin (T3)
英文别名
2-Azaniumyl-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoate
3,5,3'-Trijodothyronin (T3)化学式
CAS
3130-96-9
化学式
C15H12I3NO4
mdl
——
分子量
650.978
InChiKey
AUYYCJSJGJYCDS-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

物化性质

  • 沸点:
    563.5±50.0 °C(Predicted)
  • 密度:
    2.387±0.06 g/cm3(Predicted)
  • 熔点:
    234 °C

计算性质

  • 辛醇/水分配系数(LogP):
    1.7
  • 重原子数:
    23
  • 可旋转键数:
    5
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.13
  • 拓扑面积:
    92.8
  • 氢给体数:
    3
  • 氢受体数:
    5

ADMET

毒理性
  • 在妊娠和哺乳期间的影响
◉ 母乳喂养期间使用概述:三碘甲状腺原氨酸(T3)是人类乳汁的正常组成部分。如果母亲需要补充剂量的三碘甲状腺原氨酸,这并不是停止哺乳的理由。然而,由于缺乏关于在哺乳期间使用外源性三碘甲状腺原氨酸的信息,可能更倾向于使用其他药物。美国甲状腺协会建议,对于希望在哺乳期间进行母乳喂养的妇女,应使用左甲状腺素治疗亚临床和明显甲状腺功能减退症。与怀孕前相比,产后期间桥本甲状腺炎患者的三碘甲状腺原氨酸剂量需求可能会增加。 ◉ 对哺乳婴儿的影响:截至修订日期,未找到相关的已发布信息。然而,来自非常早产儿的母亲的乳汁中的甲状腺激素含量似乎不足以影响婴儿的甲状腺状况。 ◉ 对泌乳和乳汁的影响:正常的泌乳需要足够的甲状腺激素血清平。补充甲状腺功能减退症引起的甲状腺平不足应改善乳汁产量。超生理剂量的三碘甲状腺原氨酸不期望进一步改善泌乳。
◉ Summary of Use during Lactation:Liothyronine (T3) is a normal component of human milk. If replacement doses of liothyronine are required by the mother, it is not necessarily a reason to discontinue breastfeeding. However, because no information is available on the use of exogenous liothyronine during breastfeeding, an alternate drug may be preferred. The American Thyroid Association recommends that subclinical and overt hypothyroidism should be treated with levothyroxine in lactating women seeking to breastfeed. Liothyronine dosage requirement may be increased in the postpartum period compared to prepregnancy requirements patients with Hashimoto's thyroiditis. ◉ Effects in Breastfed Infants:Relevant published information was not found as of the revision date. However, the thyroid hormone content of human milk from the mothers of very preterm infants appears not to be sufficient to affect the infant’s thyroid status. ◉ Effects on Lactation and Breastmilk:Adequate thyroid hormone serum levels are required for normal lactation. Replacing deficient thyroid levels should improve milk production caused by hypothyroidism. Supraphysiologic doses of liothyronine would not be expected to further improve lactation.
来源:Drugs and Lactation Database (LactMed)

安全信息

  • 海关编码:
    2922509090

SDS

SDS:0f1308cfd264a3748ba23765cfdf17b3
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上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量
  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    3,5,3'-Trijodothyronin (T3)caesium carbonate 作用下, 以 1,4-二氧六环N,N-二甲基甲酰胺 为溶剂, 反应 1.08h, 生成 ethyl 3-(4-(3, 5-diiodo-4-(oxiran-2-ylmethoxy)phenoxy)-3,5-diiodophenyl)-2-(ethylamino) propanoate
    参考文献:
    名称:
    Nanoparticle and polymer formulations for thyroid hormone analogs, antagonists, and formulations and uses thereof
    摘要:
    本发明涉及治疗与血管生成有关的疾病的方法,包括向患者施用有效量的聚合物纳米粒子形式的甲状腺激素激动剂、部分激动剂或其拮抗剂,以促进或抑制患者的血管生成。本发明还涉及聚合物形式的甲状腺激素或甲状腺激素类似物的组合物。
    公开号:
    US09289395B2
  • 作为产物:
    描述:
    参考文献:
    名称:
    Gross; Pitt-Rivers, Biochemical Journal, 1953, vol. 53, p. 645,647
    摘要:
    DOI:
  • 作为试剂:
    描述:
    芦竹碱potassium phtalimide3,5,3'-Trijodothyronin (T3) 作用下, 以 四氢呋喃N,N-二甲基甲酰胺 为溶剂, 反应 8.0h, 以64%的产率得到2-((1H-indol-3-yl)methyl)isoindoline-1,3-dione
    参考文献:
    名称:
    Discovery of dipeptidyl peptidase IV (DPP4) inhibitors based on a novel indole scaffold
    摘要:
    Dipeptidyl peptidase IV (DPP4) inhibitors are proven in the treatment of type 2 diabetes. We designed and synthesized a series of novel indole compounds that selectively inhibit the activity of DPP4 over dipeptidyl peptidase 9 (DPP9) (>200 fold). We further co-crystallized DPP4 with indole sulfonamide (compound 1) to confirm a proposed binding mode. Good metabolic stability of the indole compounds represents another positive attribute for further development. (C) 2014 Sheng Ye and Zhiyuan Zhang. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.
    DOI:
    10.1016/j.cclet.2014.03.047
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文献信息

  • DISUBSTITUTED TRIFLUOROMETHYL PYRIMIDINONES AND THEIR USE
    申请人:BAYER PHARMA AKTIENGESELLSCHAFT
    公开号:US20160221965A1
    公开(公告)日:2016-08-04
    The present application relates to novel 2,5-disubstituted 6-(trifluoromethyl)pyrimidin-4(3H)-one derivatives, to processes for their preparation, to their use alone or in combinations for the treatment and/or prevention of diseases, and to their use for preparing medicaments for the treatment and/or prevention of diseases, in particular for treatment and/or prevention of cardiovascular, renal, inflammatory and fibrotic diseases.
    本申请涉及新颖的2,5-二取代6-(三甲基)嘧啶-4(3H)-酮衍生物,其制备方法,其单独或与其他药物联合用于治疗和/或预防疾病,以及用于制备治疗和/或预防疾病的药物,特别是用于治疗和/或预防心血管、肾脏、炎症和纤维化疾病。
  • METHOD FOR THE PREPARATION OF (4S)-4-(4-CYANO-2-METHOXYPHENYL)-5-ETHOXY-2,8-DIMETHYL-1,4-DIHYDRO-1-6-NAPHTHYRIDINE-3-CARBOXAMIDE AND THE PURIFICATION THEREOF FOR USE AS AN ACTIVE PHARMACEUTICAL INGREDIENT
    申请人:BAYER PHARMA AKTIENGESELLSCHAFT
    公开号:US20180244670A1
    公开(公告)日:2018-08-30
    The present invention relates to a novel and improved process for preparing (4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide of the formula (I)
    本发明涉及一种用于制备式(I)的(4S)-4-(4-基-2-甲氧基苯基)-5-乙氧基-2,8-二甲基-1,4-二氢-1,6-啉-3-羧酰胺的新型改进工艺。
  • Amino-substituted imidazo[1,2-a]pyridinecarboxamides and their use
    申请人:BAYER PHARMA AKTIENGESELLSCHAFT
    公开号:US20140128372A1
    公开(公告)日:2014-05-08
    The present application relates to novel substituted imidazo[1,2-a]pyridine-3-carboxamides, to processes for their preparation, to their use alone or in combinations for the treatment and/or prophylaxis of diseases and to their use for preparing medicaments for the treatment and/or prophylaxis of diseases, in particular for the treatment and/or prophylaxis of cardiovascular disorders.
    本申请涉及新型取代咪唑[1,2-a]吡啶-3-羧酰胺,其制备方法,单独或组合使用以治疗和/或预防疾病,以及用于制备治疗和/或预防疾病的药物,特别是用于治疗和/或预防心血管疾病。
  • INTRACELLULAR DELIVERY VEHICLE
    申请人:KIRIN KABUSHIKI KAISHA
    公开号:US20190137503A1
    公开(公告)日:2019-05-09
    An intracellular delivery vehicle of which surface is covered by a positive charge, an intracellular delivery complex in which a component or compound desired is loaded in the intracellular delivery vehicle, a temperature-sensitive probe comprising the intracellular delivery complex, and a method for measuring the intracellular temperature by the temperature-sensitive probe are disclosed. The intracellular delivery vehicle is useful on account of its capability of easily delivering the component or compound desired inside the cell without inhibiting cell proliferation.
    一个表面覆盖正电荷的细胞内传递载体,一个所需成分或化合物装载在细胞内传递载体中的细胞内传递复合物,包括细胞内传递复合物的温度敏感探针,以及通过温度敏感探针测量细胞内温度的方法被揭示。由于其能够轻松将所需成分或化合物传递到细胞内而不抑制细胞增殖,这种细胞内传递载体非常有用。
  • SUBSTITUTED BIPIPERIDINYL DERIVATIVES
    申请人:Bayer Pharma Aktiengesellschaft
    公开号:US20160318866A1
    公开(公告)日:2016-11-03
    The invention relates to novel substituted bipiperidinyl derivatives, to processes for their preparation, to their use for the treatment and/or prevention of diseases and to their use for preparing medicaments for the treatment and/or prevention of diseases, in particular for the treatment and/or prevention of diabetic microangiopathies, diabetic ulcers on the extremities, in particular for promoting wound healing of diabetic foot ulcers, diabetic heart failure, diabetic coronary microvascular heart disorders, peripheral and cardiac vascular disorders, thromboembolic disorders and ischaemias, peripheral circulatory disturbances, Raynaud's phenomenon, CREST syndrome, microcirculatory disturbances, intermittent claudication, and peripheral and autonomous neuropathies.
    该发明涉及新型取代的双哌啶生物,涉及它们的制备方法,涉及它们用于治疗和/或预防疾病以及用于制备治疗和/或预防疾病的药物的用途,特别是用于治疗和/或预防糖尿病微血管病变、四肢糖尿病溃疡,特别是促进糖尿病足溃疡愈合、糖尿病心力衰竭、糖尿病冠状微血管心脏疾病、外周和心脏血管疾病、血栓栓塞疾病和缺血、外周循环障碍、雷诺现象、CREST综合征、微循环障碍、间歇性跛行以及外周和自主神经病变的治疗和/或预防。
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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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同类化合物

(甲基3-(二甲基氨基)-2-苯基-2H-azirene-2-羧酸乙酯) (±)-盐酸氯吡格雷 (±)-丙酰肉碱氯化物 (d(CH2)51,Tyr(Me)2,Arg8)-血管加压素 (S)-(+)-α-氨基-4-羧基-2-甲基苯乙酸 (S)-阿拉考特盐酸盐 (S)-赖诺普利-d5钠 (S)-2-氨基-5-氧代己酸,氢溴酸盐 (S)-2-[[[(1R,2R)-2-[[[3,5-双(叔丁基)-2-羟基苯基]亚甲基]氨基]环己基]硫脲基]-N-苄基-N,3,3-三甲基丁酰胺 (S)-2-[3-[(1R,2R)-2-(二丙基氨基)环己基]硫脲基]-N-异丙基-3,3-二甲基丁酰胺 (S)-1-(4-氨基氧基乙酰胺基苄基)乙二胺四乙酸 (S)-1-[N-[3-苯基-1-[(苯基甲氧基)羰基]丙基]-L-丙氨酰基]-L-脯氨酸 (R)-乙基N-甲酰基-N-(1-苯乙基)甘氨酸 (R)-丙酰肉碱-d3氯化物 (R)-4-N-Cbz-哌嗪-2-甲酸甲酯 (R)-3-氨基-2-苄基丙酸盐酸盐 (R)-1-(3-溴-2-甲基-1-氧丙基)-L-脯氨酸 (N-[(苄氧基)羰基]丙氨酰-N〜5〜-(diaminomethylidene)鸟氨酸) (6-氯-2-吲哚基甲基)乙酰氨基丙二酸二乙酯 (4R)-N-亚硝基噻唑烷-4-羧酸 (3R)-1-噻-4-氮杂螺[4.4]壬烷-3-羧酸 (3-硝基-1H-1,2,4-三唑-1-基)乙酸乙酯 (2S,4R)-Boc-4-环己基-吡咯烷-2-羧酸 (2S,3S,5S)-2-氨基-3-羟基-1,6-二苯己烷-5-N-氨基甲酰基-L-缬氨酸 (2S,3S)-3-((S)-1-((1-(4-氟苯基)-1H-1,2,3-三唑-4-基)-甲基氨基)-1-氧-3-(噻唑-4-基)丙-2-基氨基甲酰基)-环氧乙烷-2-羧酸 (2S)-2,6-二氨基-N-[4-(5-氟-1,3-苯并噻唑-2-基)-2-甲基苯基]己酰胺二盐酸盐 (2S)-2-氨基-N,3,3-三甲基-N-(苯甲基)丁酰胺 (2S)-2-氨基-3-甲基-N-2-吡啶基丁酰胺 (2S)-2-氨基-3,3-二甲基-N-(苯基甲基)丁酰胺, (2S)-2-氨基-3,3-二甲基-N-2-吡啶基丁酰胺 (2S,4R)-1-((S)-2-氨基-3,3-二甲基丁酰基)-4-羟基-N-(4-(4-甲基噻唑-5-基)苄基)吡咯烷-2-甲酰胺盐酸盐 (2R,3'S)苯那普利叔丁基酯d5 (2R)-2-氨基-3,3-二甲基-N-(苯甲基)丁酰胺 (2-氯丙烯基)草酰氯 (1S,3S,5S)-2-Boc-2-氮杂双环[3.1.0]己烷-3-羧酸 (1R,5R,6R)-5-(1-乙基丙氧基)-7-氧杂双环[4.1.0]庚-3-烯-3-羧酸乙基酯 (1R,4R,5S,6R)-4-氨基-2-氧杂双环[3.1.0]己烷-4,6-二羧酸 齐特巴坦 齐德巴坦钠盐 齐墩果-12-烯-28-酸,2,3-二羟基-,苯基甲基酯,(2a,3a)- 齐墩果-12-烯-28-酸,2,3-二羟基-,羧基甲基酯,(2a,3b)-(9CI) 黄酮-8-乙酸二甲氨基乙基酯 黄荧菌素 黄体生成激素释放激素(1-6) 黄体生成激素释放激素 (1-5) 酰肼 黄体瑞林 麦醇溶蛋白 麦角硫因 麦芽聚糖六乙酸酯 麦根酸