2-benzylaminoethanethiol | 5978-34-7

• 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-benzylaminoethanethiol
• 英文别名: 2-Benzylamino-aethanthiol；N-benzyl-2-mercaptoethylamine；2-(Benzylamino)ethanethiol
• CAS: 5978-34-7
• 化学式: C₉H₁₃NS
• mdl: MFCD00983718
• 分子量: 167.275
• InChiKey: LDJADHZNGVTQJD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  13
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-benzylaminoethanethiol 在 盐酸 、 potassium hexacyanoferrate(III) 作用下， 以 水 为溶剂， 反应 0.5h， 生成 bis-(2-benzylamino-ethyl)-disulfide
  参考文献：
  名称：

  Structure-activity relationships among di- and tetramine disulfides related to benextramine

  摘要：

  The synthesis and irreversible alpha-blocking activity in the rat vas deferens of a series of tetra- and diamine disulfides 2-38, structural analogues of benextramine (BHC), are described. All compounds containing a central cystamine moiety displayed an irreversible alpha-adrenergic blockade at concentrations ranging from 10(-4) to 6 X 10(-6)M. Potency was increased in cystamines N,N'-disubstituted with 6-aminohexyl groups, especially when the outer nitrogen atoms bear arylalkyl substituents or are enclosed in a ring. However, N,N,N',N'-tetrasubstituted cystamines were poor blockers. Structural specificity in the outer portion of the tetramine disulfide is low, since many types of substituents gave rise to potent alpha-blockers. Even replacement of the outer amines with nonbasic ethers or amides was observed to maintain irreversible alpha-blockade.

  DOI：

  10.1021/jm00390a011
• 作为产物：
  描述：

  2-苯基-1,3-噻唑烷 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 生成 2-benzylaminoethanethiol
  参考文献：
  名称：

  Eliel,E.L. et al., Journal of Organic Chemistry, 1962, vol. 27, p. 4712 - 4713

  摘要：

  DOI：

文献信息

• Selective desulfurization of 1,3-dithianes, -oxathiolanes and -thiazolidines by tributyltin hydride
  作者：K Schmidt、S O'Neal、T.C Chan、C.P Alexis、J.M Uribe、K Lossener、C.G Gutierrez

  DOI：10.1016/s0040-4039(00)70682-4

  日期：1989.1

  Selective desulfurization of 2-alkyl-1,3-dithianes, -oxathiolanes, or -thiazolidines 1 with one equivalent of tri-n-butyltin hydride yields acyclic compounds R1R2CHX(CH2)nSSnBu3 (X = S,O,NH; n= 2,3), (2) which can be destannylated to the corresponding mercaptans 3.

  用一当量的氢化三正丁基锡对2-烷基-1,3-二硫杂环丁烷，-氧杂硫杂环戊烷或-噻唑烷1进行选择性脱硫，得到无环化合物R 1 R 2 CHX（CH 2）n SSnBu 3（X = S， O，NH； n ＝ 2，3），（2），其可被脱甲锡化为相应的硫醇3。
• [EN] MELANOCORTIN RECEPTOR MODULATORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS<br/>[FR] MODULATEURS DU RÉCEPTEUR DE MÉLANOCORTINE, LEUR PROCÉDÉ DE PRÉPARATION ET LEUR UTILISATION EN MÉDECINE HUMAINE ET EN COSMÉTIQUE
  申请人：GALDERMA RES & DEV

  公开号：WO2010052255A1

  公开（公告）日：2010-05-14

  The present invention relates to novel melanocortin receptor modulators corresponding to the general formula (I) to compositions containing them, to the process for preparing them and to their use in pharmaceutical or cosmetic compositions.

  本发明涉及与一般式（I）相对应的新型黑色素皮质素受体调节剂，以及含有它们的组合物，制备它们的方法以及它们在药用或化妆品组合物中的用途。
• NOVEL CALCIUM MODULATORS
  申请人：Myotherix, Inc.

  公开号：US20160207893A1

  公开（公告）日：2016-07-21

  Disclosed are novel calcium modulators having formula I: or a pharmaceutically acceptable salt, and including deuterated forms thereof, wherein: Z 1 , Z 2 , Z 3 , Z 4 Z 5 , R 1 , R 1′ , R 2 , R 3 , R 3′ R 4 , and R 4′ , are as defined throughout the specification; pharmaceutical compositions thereof; and methods of use thereof.

  公开了具有式I的新型钙调制剂：或其药学上可接受的盐，包括其氘代形式，其中：Z1、Z2、Z3、Z4、Z5、R1、R1′、R2、R3、R3′、R4和R4′，如说明书中所定义；其药物组合物；以及其使用方法。
• [EN] COMPOUNDS WHICH ARE MODULATORS OF THE PPAR-TYPE RECEPTORS AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS<br/>[FR] COMPOSES FONCTIONNANT COMME MODULATEURS DE RECEPTEURS DE TYPE PPAR ET LEUR UTILISATION DANS DES COMPOSITIONS COSMETIQUES OU PHARMACEUTIQUES
  申请人：GALDERMA RES & DEV

  公开号：WO2004072022A1

  公开（公告）日：2004-08-26

  The invention relates to novel compounds which correspond to the following general formula (I): their method of preparation, and their use in pharmaceutical compositions intended for use in human or veterinary medicine (in dermatology and in the field of cardiovascular diseases, immune diseases and/or diseases linked to lipid metabolism), or in cosmetic compositions.

  该发明涉及与以下一般式（I）相对应的新化合物，它们的制备方法，以及它们在用于人类或兽医药物组合物中的用途（在皮肤病学和心血管疾病、免疫疾病和/或与脂质代谢相关的疾病领域），或者在化妆品组合物中的用途。
• [EN] COMPOUNDS WHICH ARE MODULATORS OF THE PPAR-TYPE RECEPTORS AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS<br/>[FR] COMPOSES MODULATEURS DES RECEPTEURS DU TYPE PPAR ET LEUR UTILISATION DANS DES PREPARATIONS PHARMACEUTIQUES ET COSMETIQUES
  申请人：GALDERMA RES & DEV

  公开号：WO2004071504A1

  公开（公告）日：2004-08-26

  The invention relates to novel compounds which correspond to the general formula (I), their method of preparation, and their use in pharmaceutical compositions intended for use in human or veterinary medicine (in dermatology and in the field of cardiovascular diseases, immune diseases and/or diseases linked to lipid metabolism), or in cosmetic compositions.

  本发明涉及与通式（I）相对应的新化合物，其制备方法以及它们在制备用于人类或兽医药物（在皮肤病学以及心血管疾病、免疫疾病和/或与脂质代谢有关的疾病领域）或化妆品中的应用。

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