N,N'-Dimethyl-N-cyclohexyl-trimethylendiamin | 91336-67-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,N'-Dimethyl-N-cyclohexyl-trimethylendiamin
• 英文别名: N1-Cyclohexyl-N1,N3-dimethyl-1,3-propanediamine；N'-cyclohexyl-N,N'-dimethylpropane-1,3-diamine
• CAS: 91336-67-3
• 化学式: C₁₁H₂₄N₂
• 分子量: 184.325
• InChiKey: XDAQFTXIPUUOSE-UHFFFAOYSA-N

物化性质

• 沸点：
  257.2±8.0 °C(Predicted)
• 密度：
  0.89±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  15.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT

文献信息

• Inhibitors of MshC and Homologs Thereof, and Methods of Identifying Same
  申请人：Fahey Robert C.

  公开号：US20100022509A1

  公开（公告）日：2010-01-28

  The present invention utilizes three families of bacterial enzymes, which play a key role in mycothiol biosynthesis. The three families are bacterial cysteine:glucosaminyl inositol ligases (MshC) with catalytic ligase activity for ligation of glucosaminyl inositol and cysteine, bacterial acetyl-CoA:Cys-GlcN-Ins acetyltransferases (MshD) with catalytic activity for addition of an acetyl group to Cys-GlcN-Ins and bacterial MshA glycosyltransferase with catalytic activity for production of GlcNAc-Ins. The invention provides methods for using the mycothiol biosynthesis ligases, acetyltransferases or glycosyltransferases in drug screening assays to determine compounds that inhibit activity. The invention also provides inhibitors of the production or activity of the enzymes of mycothiol biosynthesis, and use of the inhibitors for treating microbial infection.

  本发明利用三种细菌酶家族，它们在肌硫醇生物合成中起着关键作用。这三个家族是：具有催化配体活性的细菌半胱氨酸：葡萄糖胺酰肌醇连接酶（MshC），用于连接葡萄糖胺酰肌醇和半胱氨酸；具有催化活性的细菌乙酰辅酶A：半胱氨酸-GlcN-Ins乙酰转移酶（MshD），用于向Cys-GlcN-Ins添加乙酰基；以及具有催化活性的细菌MshA糖基转移酶，用于生产GlcNAc-Ins。本发明提供了使用肌硫醇生物合成连接酶、乙酰转移酶或糖基转移酶进行药物筛选测定的方法，以确定抑制活性的化合物。本发明还提供了肌硫醇生物合成酶的产生或活性的抑制剂，并将其用于治疗微生物感染。
• [EN] TRIAZINE DERIVATIVES<br/>[FR] DÉRIVÉS DE TRIAZINE
  申请人：CIBA SC HOLDING AG

  公开号：WO2007128744A2

  公开（公告）日：2007-11-15

  [EN] Disclosed are triazine derivatives of formula (1), wherein X₁ is a bivalent radical of formula (1a) -NR₉-A-NR₉-; (1b); or (1c) *-O-A-O-* A and A' independently from each other are unsubstituted or substituted, straight-chain or branched C₁-C₁₂alkylene, which is optionally interrupted by C₅-C₁₂cycloalkylene, N, O or S; C₅-C₁₂cycloalkylene; biphenylene; C₆-C₁₀arylene; or C₅-C₁₀arylene-(C₁-C₁₂alkylene); R₁ is a radical of formula (1d); (1e); (1f); (1g); or (1h); R₂ and R₃ independently from each other are hydrogen; C₁-C₁₂alkyl; OR₇; NR₇R₈; C₆-C₁₀aryl; X₂ is O, or NH; W₁ is C₁-C₂₀alkyl; or a group Sp-Sil; Sp is a straight-chain or branched saturated or single or multiple unsaturated C₃-C₁₂ hydrocarbon; Sil is a silane; an oligosiloxane; or a polysiloxane moiety; and R₄, R₅ R₆, R₇, R₈ and R₉ independently from each other are hydrogen; C₁-C₁₂alkyl; or C₃-C₁₂cycloalkyl.
  [FR] L'invention concerne des dérivés de triazine de formule (1), dans laquelle X₁ est un radical bivalent de formule (1a) -NR₉-A-NR₉-; (1b); ou (1c) *-O-A-O-* dans lesquelles A et A' sont substitués ou insubstitués indépendamment l'un de l'autre, alkylène C₁-C₁₂ à chaîne droite ou ramifiée éventuellement interrompue par cycloalkylène C₅-C₁₂, N, O ou S; cycloalkylène C₅-C₁₂; biphénylène; arylène C₆-C₁₀; ou arylène C₅-C₁₀-(alkylène C₁-C₁₂); R₁ est un radical de formule (1d); (1e); (1f); (1g); ou (1h); R₂ and R₃ sont, indépendamment l'un de l'autre, hydrogène, alkyle C₁-C₁₂; OR₇, NR₇R₈, aryle C₆-C₁₀; X₂ est O ou NH; W₁ est alkyle C₁-C₂₀ ou un groupe Sp-Sil; Sp est un hydrocarbure C₃-C₁₂ saturé ou mono- ou poly-insaturé, à chaîne droite ou ramifiée; Sil est un silane, un oligosiloxane ou un fragment polysiloxane; et R₄, R₅R₆, R₇, R₈ et R₉ sont, indépendamment l'un de l'autre, hydrogène, alkyle C₁-C₁₂ ou cycloalkyle C₃-C₁₂.