2-[3-[（4-氟苯基）磺酰基-甲基氨基]-1,2,3,4-四氢咔唑-9-基]乙酸 | 627865-18-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 中文名称: 2-[3-[（4-氟苯基）磺酰基-甲基氨基]-1,2,3,4-四氢咔唑-9-基]乙酸
• 英文名称: TM30089
• 英文别名: CAY 10471；2-[3-[(4-Fluorophenyl)sulfonyl-methylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
• CAS: 627865-18-3
• 化学式: C₂₁H₂₁FN₂O₄S
• 分子量: 416.473
• InChiKey: CANCTKXGRVNXFP-UHFFFAOYSA-N

物化性质

• 溶解度：
  DMF：30mg/mL； DMSO：30mg/mL； DMSO:PBS (pH 7.2) (1:5)：0.5 mg/ml；乙醇：15mg/mL

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  88
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-氟苯磺酰氯 在 lithium hydroxide 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 24.0h， 生成 2-[3-[（4-氟苯基）磺酰基-甲基氨基]-1,2,3,4-四氢咔唑-9-基]乙酸
  参考文献：
  名称：

  Minor Structural Modifications Convert the Dual TP/CRTH2 Antagonist Ramatroban into a Highly Selective and Potent CRTH2 Antagonist

  摘要：

  Ramatroban, a thromboxane A(2) receptor (TP) antagonist with clinical efficacy in asthma and allergic rhinitis, was recently shown to also antagonize the prostaglandin D-2 receptor CRTH2. Here we report that minor structural changes to ramatroban result in a compound (13) with complete lack of activity on TP but sub-nanomolar potency toward CRTH2. This is the first selective CRTH2 antagonist described to date, and should prove highly valuable in further elucidating the biological significance of CRTH2.

  DOI：

  10.1021/jm049036i

文献信息

• PTGDR-1 AND/OR PTGDR-2 ANTAGONISTS FOR PREVENTING AND/OR TREATING SYSTEMIC LUPUS ERYTHEMATOSUS
  申请人：INSERM - Institut National de la Santé et de la Recherche Médicale

  公开号：EP3256121A1

  公开（公告）日：2017-12-20
• COMPOSITIONS AND METHODS FOR REGULATING HAIR GROWTH
  申请人：The Trustees of the University of Pennsylvania

  公开号：US20150072963A1

  公开（公告）日：2015-03-12

  The invention relates to compositions and methods for regulating hair growth. Specifically, the invention relates to regulating hair growth by regulating the activity one of the prostaglandin D2 (PGD2) receptors, DP-2 (GPR44). Compositions and methods for regulating hair growth include inhibiting hair growth by administering a DP-2 agonist, or stimulating hair growth by administering a DP-2 antagonist.
• METHODS FOR THE DIAGNOSIS AND TREATMENT OF PULMONARY FIBROSIS IN SUBJECTS WITH HERMANSKY PUDLAK SYNDROME
  申请人：BROWN UNIVERSITY

  公开号：US20170121773A1

  公开（公告）日：2017-05-04

  Described herein are methods, assays, and systems related to the prognosis, diagnosis, and treatment of Hermansky Pudlak Syndrome (HPS) and, e.g., pulmonary fibrosis in a subject. As described herein, subjects with HPS who have, will develop, Cor are most at risk or developing pulmonary fibrosis have elevated levels of CHI3L1. In some embodiments, the methods comprise administering an agonist of IL-13Rα2 or an inhibitor of CRTH2 to the subject.
• US9994905B2
  申请人：——

  公开号：US9994905B2

  公开（公告）日：2018-06-12
• [EN] PTGDR-1 AND/OR PTGDR-2 ANTAGONISTS FOR PREVENTING AND/OR TREATING SYSTEMIC LUPUS ERYTHEMATOSUS<br/>[FR] ANTAGONISTES DE PTGDR-1 ET/OU DE PTGDR-2 POUR LA PRÉVENTION ET/OU LE TRAITEMENT DU LUPUS ÉRYTHÉMATEUX SYSTÉMIQUE
  申请人：INST NAT DE LA SANTE ET DE LA RECH MEDICALE (INSERM)

  公开号：WO2016128565A1

  公开（公告）日：2016-08-18

  The present invention concerns a PTGDR-1 antagonist, a PTGDR-2 antagonist, a dual PTGDR-1 /PTGDR-1 antagonist, or a combination of PTGDR-1 antagonist and PTGDR-2 antagonist, and pharmaceutical compositions containing them, for use for preventing and/or treating SLE.