2-IODOBENZYLZINC BROMIDE | 117269-71-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-IODOBENZYLZINC BROMIDE
• 英文别名: (2-iodobenzyl)zinc bromide；o-iodobenzylzinc bromide；2-iodobenzyl zinc bromide
• CAS: 117269-71-3
• 化学式: C₇H₆BrIZn
• 分子量: 362.323
• InChiKey: CYLNVPVVESOXDT-UHFFFAOYSA-M

物化性质

• 密度：
  1.025 g/mL at 25 °C
• 闪点：
  1 °F

计算性质

• 辛醇/水分配系数(LogP)：
  3.18
• 重原子数：
  10.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

安全信息

• 安全说明：
  S16,S26,S36/37/39,S45
• 危险类别码：
  R34,R19,R11
• WGK Germany：
  3
• 危险标志：
  GHS02,GHS07,GHS08
• 危险品运输编号：
  UN 2924 3/PG 2
• 危险性描述：
  H225,H302,H319,H335,H351
• 危险性防范说明：
  P210,P280,P301 + P312 + P330,P305 + P351 + P338,P370 + P378,P403 + P235

反应信息

• 作为反应物：
  描述：

  2-IODOBENZYLZINC BROMIDE 在 正丁基锂 、 lithium chloride 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 生成 1-Iodo-2-(4-methylideneheptyl)benzene
  参考文献：
  名称：

  Dissociated Nonsteroidal Glucocorticoid Receptor Modulators; Discovery of the Agonist Trigger in a Tetrahydronaphthalene−Benzoxazine Series

  摘要：

  The tetrahydronaphthalene-benzoxazine glucocorticoid receptor (GR) partial agonist 4b was optimized to produce potent full agonists of GR. Aromatic ring substitution of the tetrahydronaphthalene leads to weak GR antagonists. Discovery of an "agonist trigger" substituent on the saturated ring of the tetrahydronaphthalene leads to increased potency and efficacious GR agonism. These compounds are efficacy selective in an NFkB GR agonist assay ( representing transrepression effects) over an MMTV GR agonist assay ( representing transactivation effects). 52 and 60 have NFkB pIC(50) = 8.92 (105%) and 8.69 (92%) and MMTV pEC(50) = 8.20 (47%) and 7.75 (39%), respectively. The impact of the trigger substituent on agonism is modeled within GR and discussed. 36, 52, and 60 have anti-inflammatory activity in a mouse model of inflammation after topical dosing with 52 and 60, having an effect similar to that of dexamethasone. The original lead was discovered by a manual agreement docking method, and automation of this method is also described.

  DOI：

  10.1021/jm060302x
• 作为产物：
  描述：

  2-碘苯甲基溴 以90%的产率得到
  参考文献：
  名称：

  BERK, S. C.;KNOCHEL, P.;YEH, MING CHANG P., J. ORG. CHEM., 53,(1988) N 24, C. 5789-5791

  摘要：

  DOI：

文献信息

• NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS
  申请人：Schwede Wolfgang

  公开号：US20090075989A1

  公开（公告）日：2009-03-19

  The present invention relates to non-steroidal progesterone receptor modulators of the general formula 1, the use of the progesterone receptor modulators for the manufacture of medicaments, and pharmaceutical compositions which comprise these compounds. The compounds according to the invention are suitable for the therapy and prophylaxis of gynaecological disorders such as endometriosis, leiomyomas of the uterus, dysfunctional bleeding and dysmenorrhoea, and for the therapy and prophylaxis of hormone-dependent tumours and for use for female fertility control and for hormone replacement therapy.

  本发明涉及一般式1的非类固醇孕激素受体调节剂，以及利用这些孕激素受体调节剂制备药物和包含这些化合物的药物组合物。根据本发明的化合物适用于治疗和预防妇科疾病，如子宫内膜异位症、子宫平滑肌瘤、功能性出血和月经痛，以及治疗和预防激素依赖性肿瘤，用于女性生育控制和激素替代疗法。
• [EN] 2,3-BENZOXAZIN DERIVATIVES AS NON-STEROIDAL GLUCOCORTICOID RECEPTOR MODULATORS<br/>[FR] DERIVES DE 2,3-BENZOXAZINE UTILISES EN TANT QUE MODULATEURS NON STEROIDIENS DU RECEPTEUR GLUCOCORTICOIDE
  申请人：GLAXO GROUP LTD

  公开号：WO2006000398A1

  公开（公告）日：2006-01-05

  The present invention provides compounds of formula (I), wherein R1 represents 1-ethylpropyl, 1-methylethyl or 2-methylpropyl; or a physiologically functional derivative thereof; pharmaceutical compositions comprising the compounds, the use of the compounds for the manufacture of medicaments particularly for the treatment of inflammatory and/or allergic conditions, processes for the preparation of the compounds, and chemical intermediates in the processes for the manufacture of the compounds.

  本发明提供了式(I)的化合物，其中R1代表1-乙基丙基、1-甲基乙基或2-甲基丙基；或其生理功能衍生物；包括这些化合物的药物组合物，这些化合物用于制造药物，特别用于治疗炎症和/或过敏症状，以及用于制备这些化合物的过程和制造这些化合物的化学中间体。
• [EN] TETRAHYDRO-NAPHTHALENE DERIVATIVES AS GLUCOCORTICOID RECEPTOR MODULATORS<br/>[FR] DÉRIVÉS DE TÉTRAHYDRONAPHTHALÈNE SERVANT DE MODULATEURS DU RÉCEPTEUR DES GLUCOCORTICOÏDES
  申请人：GLAXO GROUP LTD

  公开号：WO2006015870A1

  公开（公告）日：2006-02-16

  The present invention is directed to compounds of formula (I): wherein R represents a methyl or an ethyl group X represents N, C-H or C-CH3 when X represents C-H or C-CH3, Y represents N when X represents N, Y represents C-H and physiologically functional derivatives thereof, pharmaceutical compositions comprising the compounds, the use of the compounds for the manufacture of medicaments particularly for the treatment of inflammatory and/or allergic conditions, processes for the preparation of the compounds, and chemical intermediates in the processes for the manufacture of the compounds.

  本发明涉及以下式（I）的化合物：其中R代表甲基或乙基基团，X代表N、C-H或C-CH3，当X代表C-H或C- 时，Y代表N，当X代表N时，Y代表C-H以及其生理功能衍生物，包括该化合物的药物组合物，该化合物用于制备药物，特别用于治疗炎症和/或过敏症状，该化合物的制备方法以及用于制备该化合物的化学中间体。
• Non-steroidal progesterone receptor modulators
  申请人：SCHWEDE Wolfgang

  公开号：US20090270381A1

  公开（公告）日：2009-10-29

  The present invention relates to non-steroidal progesterone receptor modulators of the general formula I, the use of the progesterone receptor modulators for the manufacture of medicaments, and pharmaceutical compositions which comprise these compounds. The compounds according to the invention are suitable for the therapy and prophylaxis of gynecological disorders such as endometriosis, leiomyomas of the uterus, dysfunctional bleeding and dysmenorrhoea, and for the therapy and prophylaxis of hormone-dependent tumours and for use for female fertility control and for hormone replacement therapy.

  本发明涉及一般式I的非类固醇孕激素受体调节剂，以及利用这些孕激素受体调节剂制造药物和包含这些化合物的药物组合物。根据本发明的化合物适用于治疗和预防妇科疾病，如子宫内膜异位症、子宫平滑肌瘤、功能性出血和月经痛，并用于激素依赖性肿瘤的治疗和预防，以及用于女性生育控制和激素替代疗法。
• [EN] SUBSTITUTED OXAZINES AS GLUCOCORTICOID RECEPTOR MODULATORS<br/>[FR] OXAZINES SUBSTITUEES UTILISEES COMME MODULATEURS DU RECEPTEUR GLUCOCORTICOIDE
  申请人：GLAXO GROUP LTD

  公开号：WO2006000401A1

  公开（公告）日：2006-01-05

  The present invention is directed to compounds of formula (I), wherein R1 represents a C3-6cycloalkyl group; or a physiologically functional derivative thereof, pharmaceutical compositions comprising the compounds, the use of the compounds for the manufacture of medicaments particularly for the treatment of inflammatory and/or allergic conditions, processes for the preparation of the compounds, and chemical intermediates in the processes for the manufacture of the compounds.

  本发明涉及以下式（I）化合物，其中R1代表C3-6环烷基基团；或其生理功能衍生物，包括该化合物的药物组合物，该化合物用于制造特别用于治疗炎症和/或过敏症的药物，该化合物的制备方法，以及用于制造该化合物的过程中的化学中间体。