3-癸炔酰基-N-乙酰基半胱胺 | 15044-28-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 3-癸炔酰基-N-乙酰基半胱胺
• 英文名称: 3-Decynoyl-N-acetylcysteamine
• 英文别名: N-acetyl-N-(2-sulfanylethyl)dec-3-ynamide
• CAS: 15044-28-7
• 化学式: C₁₄H₂₃NO₂S
• 分子量: 269.4
• InChiKey: CURZPLQTHZPEBP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  18
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  38.4
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• Novel antimicrobial activity of gemfibrozil and related compounds and derivatives and metabolites thereof
  申请人：The Trustees of Columbia University in the City of New York

  公开号：US20030191146A1

  公开（公告）日：2003-10-09

  The present invention provides for a method of inhibiting activity of an enoyl reductase enzyme in a cell which comprises contacting the cell with a compound having the structure: 1 wherein each of R 1 , R 2 , R 3 , R 4 , R 5 and R 6 is independently selected from the group consisting of: —H, —F, —Cl, —Br, —I, —OH, —OR, —CN, —COR 7 , —SR 7 , —N(R 7 ) 2 , —NR 7 —COR 8 , —NO 2 , —(CH 2 ) p —OR 7 , —COSR 7 , —COOH, —CONH 2 , —NH 2 , a straight chain or branched, substituted or unsubstituted C 1 -C 10 alkyl, C 2 -C 10 alkenyl, C 2 -C 10 alkynyl, C 3 -C 10 cycloalkyl, C 3 -C 10 cycloalkenyl, thioalkyl, methylene thioalkyl, acyl, phenyl, substituted phenyl, or heteroaryl; wherein L is alternatively —N—, —S—, —O— or —C—; wherein R 7 is independently selected from the group consisting of —H, —F, —Cl, —Br, —I, —OH, —CN, —COH, —SH 2 , —NH 2 , —NHCOH, —(CH 2 ) p OH, a straight chain or branched, substituted or unsubstituted C 1 -C 10 alkyl, C 2 -C 10 alkenyl, C 2 -C 10 alkynyl, C 3 -C 10 cycloalkyl, C 3 -C 10 cycloalkenyl, thioalkyl, methylene thioalkyl, acyl, phenyl, substituted phenyl, or heteroaryl; wherein A is selected from the group consisting of —N 2 —, —NH—, —C═C═CH 2 —, —C≡C—C 2 HOH—, —C≡C—CH 2 —, —CH 2 —CH 2 —O—, —CH 2 —CH 2 —CH 2 —O—, —S—, —S(═O) 2 —, —C═O—, —C═O—O—, —NH—C═O—, —C═O—NH—; wherein Q is independently an integer from 1 to 10, or if Q is 1, A may be a (C 1 -C 10 )-alkyl chain, (C 1 -C 10 )-alkenyl chain or (C 1 -C 10 )-alkynyl chain which is branched or unbranched, substituted or unsubstituted and is optionally interrupted 1 to 3 times by —O— or —S— or —N—; wherein X is —CO 2 —, —CH═CH 3 , phenyl, substituted phenyl, or heteroaryl, —O-phenyl(CH 3 ) 2 , —C(CH 2 ) 2 —CO—NH 2 , —C(CH 2 ) 2 —COOH; or a pharmaceutically acceptable salt or ester thereof, which compound is present in a concentration effective to inhibit activity of the enzyme.

  本发明提供了一种抑制细胞中烯酰还原酶活性的方法，该方法包括使细胞与具有以下结构的化合物接触： 1 其中每个 R 1 , R 2 , R 3 , R 4 , R 5 和 R 6 独立地选自由下列组：-H、-F、-Cl、-Br、-I、-OH、-OR、-CN、-CORR 7 、-SR 7 、-N（R 7 ) 2 , -NR 7 -COR 8 , -NO 2 、-(CH 2 ) p -OR 7 , -COSR 7 、-COOH、-CONH 2 、-NH 2 直链或支链、取代或未取代的 C 1 -C 10 烷基、C 2 -C 10 烯基，C 2 -C 10 炔基，C 3 -C 10 环烷基，C 3 -C 10 环烯基、硫代烷基、亚甲基硫代烷基、酰基、苯基、取代苯基或杂芳基； 其中 L 可以是-N-、-S-、-O-或-C-； 其中 R 7 独立地选自以下组成的组-H、-F、-Cl、-Br、-I、-OH、-CN、-COH、-SH 2 、-NH 2 、-NHCOH、-(CH 2 ) p OH、直链或支链、取代或未取代的 C 1 -C 10 烷基、C 2 -C 10 烯基，C 2 -C 10 炔基，C 3 -C 10 环烷基，C 3 -C 10 环烯基、硫代烷基、亚甲基硫代烷基、酰基、苯基、取代苯基或杂芳基； 其中 A 选自以下组成的组-N 2 -、-NH-、-C═C═CH 2 -、-C≡C-C 2 HOH-，-C≡C-CH 2 -，-CH 2 -CH 2 -O-，-CH 2 -CH 2 -CH 2 -O-、-S-、-S(═O) 2 -，-C═O-，-C═O-O-，-NH-C═O-，-C═O-NH-； 其中 Q 独立地为 1 到 10 的整数，或者如果 Q 为 1，A 可以是（C 1 -C 10 烷基链、(C 1 -C 10 )-烯基链或(C 1 -C 10 )-炔基链条，该链条可支化或不支化、可取代或未取代，并可任选被-O-或-S-或-N-打断 1 至 3 次； 其中 X 是 -CO 2 -、-CH═CH 3 苯基、取代的苯基或杂芳基，-O-苯基（CH 3 ) 2 、-C(CH 2 ) 2 -CO-NH 2 , -C(CH 2 ) 2 -COOH； 或其药学上可接受的盐或酯，该化合物的存在浓度能有效抑制酶的活性。
• Crystals and structures of members of the E. coli comA and yddB protein families (ComA)
  申请人：——

  公开号：US20030158384A1

  公开（公告）日：2003-08-21

  The present invention provides machine readable media embedded with the three-dimensional molecular structure coordinates of ComA proteins, and subsets thereof, including binding pockets, methods of using the structure to identify and design affecters, including inhibitors and activator, mutants of ComA, and compounds and compositions that affect ComA activity.

  本发明提供了嵌入 ComA 蛋白及其子集（包括结合口袋）三维分子结构坐标的机器可读介质、使用该结构识别和设计影响因子（包括抑制剂和激活剂）的方法、ComA 的突变体以及影响 ComA 活性的化合物和组合物。
• Novel purified polypeptides from pseudomonas aeruginosa
  申请人：Edwards Aled

  公开号：US20050221462A1

  公开（公告）日：2005-10-06

  The present invention relates to novel drug targets for pathogenic bacteria. Accordingly, the invention provides purified protein comprising the amino acid sequence set forth in SEQ ID NO: 4. The invention also provides biochemical and biophysical characteristics of the polypeptides of the invention.

  本发明涉及病原菌的新型药物靶标。因此，本发明提供了包含 SEQ ID NO: 4 所列氨基酸序列的纯化蛋白质。本发明还提供了本发明多肽的生物化学和生物物理特征。
• LABYRINTHULOMYCETE STRAINS FOR PRODUCING DOCOSAHEXAENOIC ACID AND MYRISTIC ACID
  申请人：Synthetic Genomics, Inc.

  公开号：EP3146059B1

  公开（公告）日：2019-09-18
• LABYRINTHULOMYCETE STRAINS FOR PRODUCING DOCOSAHEXAENOIC ACID
  申请人：Synthetic Genomics, Inc.

  公开号：EP3146059A2

  公开（公告）日：2017-03-29