4-(Methylcarbamoyl)benzene-1-carbothioic S-acid | 109861-85-0

• 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: 4-(Methylcarbamoyl)benzene-1-carbothioic S-acid
• 英文别名: 4-(methylcarbamoyl)benzenecarbothioic S-acid
• CAS: 109861-85-0
• 化学式: C₉H₉NO₂S
• 分子量: 195.24
• InChiKey: FEAAJPSKGIMRPE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  47.2
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• 7-oxo-4-thia-1-azabicyclo [3.2.0] hept-2-ene derivatives
  申请人：HOECHST AKTIENGESELLSCHAFT

  公开号：EP0212404A1

  公开（公告）日：1987-03-04

  A compound of formula I in which R represents a hydrogen atom or a carboxylic acid esterifying group; R represents (i) one of the following groups in which Ra and Rb, which may be the same or different, each represents an alkyl group having from 1 to 4 carbon atoms, or (ii) a -CONH(CH2)mQ group, in which m represents an integer of from 1 to 3, and Q represents one of the following groups in which Rc represents a methyl or ethyl group, or (iii) a -C02Rd group, in which Rd represents a methyl or ethyl group which is unsubstituted or is substituted by one or more substituents, which may be the same or different, selected from (a) halogen atoms and vinyl groups, (b) phenyl groups which are unsubstituted or are substituted by one or more groups selected from alkoxy groups having from 1 to 4 carbon atoms, nitro groups and halogen atoms, (c) silyl groups SiReRfRg, the groups Re, Rf and Rg being the same or different, each representing a phenyl group or an alkyl group having from 1 to 4 carbon atoms, and (d) groups Q as defined above; or (iv) a -C02SiReRfRg group, in which Re, Rf and Rg are defined as in (c) above, or a -C02-phenyl group, in which the phenyl moiety is unsubstituted or substituted as defined in (b) above; R2 represents (i) a hydrogen atom, (ii) a group as defined above for R' (R' and R2 being the same or different), or (iii) a chlorine, bromine or iodine atom, an alkyl group having from 1 to 4 carbon atoms, an -NH2, -NHRa or -NRaRb group, an -OH or -ORa group, or an -OCOCH3 group, Ra and Rb being defined as above, and R3 represents a hydrogen atom or a hydroxy protecting group; and in which R' and R2, independently of each other, may be present at any position on the phenyl ring; and salts thereof, and isomers thereof have antibacterial activity.

  式 I 的化合物 其中 R 代表氢原子或羧酸酯化基团； R 代表 (i) 下列基团之一 其中 Ra 和 Rb 可以相同或不同，各自代表具有 1 至 4 个碳原子的烷基，或 (ii) -CONH(CH2)mQ 基团，其中 m 代表 1 至 3 的整数，Q 代表以下基团之一 其中 Rc 代表甲基或乙基，或 (iii) -C02Rd 基团，其中 Rd 代表未被取代或被一个或多个取代基取代的 甲基或乙基，这些取代基可以相同或不同，选自 (a) 卤素和乙烯基、 (b) 未被取代或被一个或多个基团取代的苯基，这些基团选自具有 1 至 4 个碳原子的烷氧基、硝基和卤素原子、 (c) 硅烷基 SiReRfRg，基团 Re、Rf 和 Rg 可以相同或不同，各自代表一个苯基或一个具有 1 至 4 个碳原子的烷基，以及 (d) 如上定义的基团 Q；或 (iv) -C02SiReRfRg 基团，其中 Re、Rf 和 Rg 的定义如上文(c)所述，或 -C02-苯基基团，其中苯基未被取代或被取代如上文(b)所述； R2 代表 (i) 氢原子、 (ii) 如上文对 R'所定义的基团（R'和 R2 可相同或不同），或 (iii) 氯、溴或碘原子，具有 1 至 4 个碳原子的烷基，-NH2、-NHRa 或 -NRaRb 基团，-OH 或 -ORa 基团，或 -OCOCH3 基团，Ra 和 Rb 的定义同上，以及 R3 代表氢原子或羟基保护基团；其中 R' 和 R2 可独立存在于苯环上的任何位置；其盐类及其异构体具有抗菌活性。
• [EN] COMPOUND EMBODIMENTS FOR TREATING RETINAL DEGENERATION AND METHOD EMBODIMENTS OF MAKING AND USING THE SAME<br/>[FR] MODES DE RÉALISATION DE COMPOSÉ POUR LE TRAITEMENT DE LA DÉGÉNÉRESCENCE RÉTINIENNE ET MODES DE RÉALISATION DE PROCÉDÉ DE PRÉPARATION ET DE MÉTHODES D'UTILISATION DE CELUI-CI
  申请人：US HEALTH

  公开号：WO2022006439A2

  公开（公告）日：2022-01-06

  Method embodiments are disclosed for treating retinal degeneration in a subject in need thereof. In some embodiments, the method comprises administering to the subject a therapeutically effective amount of compound, and/or a pharmaceutically acceptable salt, prodrug, solvate, hydrate, or tautomer thereof, selected from 3-(dibutylamino)-1-(1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl)propan-1-ol hydrochloride or a compound having a structure according to a formula selected from Formula I, II, or III, as described herein. In some non-limiting examples, the subject has retinitis pigmentosa, LCA, Stargardt's macular dystrophy, cone-rod dystrophy, choroideremia or age-related macular degeneration.