(4-chloromethyl-3-methyl-1,3-thiazol-2(3H)-ylidene)-N-methanamine hydrochloride

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (4-chloromethyl-3-methyl-1,3-thiazol-2(3H)-ylidene)-N-methanamine hydrochloride
• 英文别名: (4-chloromethyl-3-methyl-3H-thiazol-2-ylidene)-methyl-amine hydrochloride；N-(4-chloromethyl-3-methyl-1,3-thiazol-2(3H)-ylidene)-N-methylamine hydrochloride；4-(chloromethyl)-N,3-dimethyl-1,3-thiazol-2-imine;hydrochloride
• 化学式: C₆H₉ClN₂S*ClH
• 分子量: 213.131
• InChiKey: IGQVZPFFXPICPH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.78
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  40.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (4-chloromethyl-3-methyl-1,3-thiazol-2(3H)-ylidene)-N-methanamine hydrochloride 、 N,N'-二环己基硫脲 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Orally Bioavailable Isothioureas Block Function of the Chemokine Receptor CXCR4 In Vitro and In Vivo

  摘要：

  The interaction of the chemokine receptor CXCR4 with its ligand CXCL12 is involved in many biological processes such as hematopoesis, migration of immune cells, as well as in cancer metastasis. CXCR4 also mediates the infection of T-cells with X4-tropic HIV functioning as a coreceptor for the viral envelope protein gp120. Here, we describe highly potent, selective CXCR4 inhibitors that block CXCR4/CXCL12 interactions in vitro and in vivo Lis well as the infection of target cells by X4-tropic HIV.

  DOI：

  10.1021/jm801065q
• 作为产物：
  描述：

  N,N'-二甲基硫脲 、 1,3-二氯丙酮 以 正丁醇 为溶剂， 反应 1.0h， 以90%的产率得到(4-chloromethyl-3-methyl-1,3-thiazol-2(3H)-ylidene)-N-methanamine hydrochloride
  参考文献：
  名称：

  [EN] ISOTHIOUREA DERIVATIVES
  [FR] DERIVES D'ISOTHIO-UREE

  摘要：

  本发明涉及异硫脲衍生物，其生产过程，它们的用途，特别是在移植，自身免疫或感染性疾病中的应用，以及包含它们的制药组合物。

  公开号：

  WO2005085219A1

文献信息

• Thiazoline derivative and use of the same
  申请人：Kubo Keiji

  公开号：US20070010528A1

  公开（公告）日：2007-01-11

  A thiazoline derivative represented by Formula (I): wherein R is a cyclic hydrocarbon group which may be substituted, or a heterocyclic group which may be substituted; X is a bond or a divalent chain hydrocarbon group which may be substituted; X′ is a bond or —N(R 5 )—; Y is a divalent hydrocarbon group which may be substituted; Y′ is a bond or —C(═O)—; ring A is a nitrogen-containing heterocycle which may be substituted; Z 1 and Z 3 are each independently a bond or a divalent chain hydrocarbon group which may be substituted; Z 2 is a bond or —N(R 6 )—; and B is a group represented by the formula: which is useful as a therapeutic drug for thrombosis, is provided.

  提供一种由式（I）表示的噻唑啉衍生物：其中R是环烃基，可以被取代，或者是可以被取代的杂环基; X是键或二价链烃基，可以被取代; X'是键或-N(R5)-; Y是二价烃基，可以被取代; Y'是键或-C(═O)-; 环A是含氮杂环，可以被取代; Z1和Z3各自独立地是键或二价链烃基，可以被取代; Z2是键或-N(R6)-; B是下式表示的基团：该化合物可用作治疗血栓症的药物。
• EP1695961
  申请人：——

  公开号：——

  公开（公告）日：——