[(3R)-1-[[(1S)-1-dimethylphosphoryloxy-2-[[(4R)-5-hydroxy-4-[[(3R)-3-methyltetradecanoyl]amino]pentyl]amino]-2-oxoethyl]amino]-1-oxotetradecan-3-yl] dodecanoate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: [(3R)-1-[[(1S)-1-dimethylphosphoryloxy-2-[[(4R)-5-hydroxy-4-[[(3R)-3-methyltetradecanoyl]amino]pentyl]amino]-2-oxoethyl]amino]-1-oxotetradecan-3-yl] dodecanoate
• 化学式: C₅₀H₉₈N₃O₈P
• 分子量: 900.3
• InChiKey: FJPRDIWHUOYDPN-NXPLJXDBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.9
• 重原子数：
  62
• 可旋转键数：
  46
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  160
• 氢给体数：
  4
• 氢受体数：
  8

文献信息

• IMMUNOMODULATORY COMPOUNDS AND TREATMENT OF DISEASES RELATED TO AN OVERPRODUCTION OF INFLAMMATORY CYTOKINES
  申请人：OM PHARMA

  公开号：US20140086960A1

  公开（公告）日：2014-03-27

  Method of using immunomodulatory compounds for treating diseases related to an overproduction of inflammatory cytokines, including diseases selected from asthma, atopic dermatitis, allergic rhinitis, prostatitis, inflammatory bowel disease, diabetes, and rheumatoid arthritis, the compounds being of general formula (I): wherein: m and n, independently from each other, are an integer ranging from 1 to 4, X and Y represent —COOH, —O—P(O)(OH) 2 , —O—SO 2 (OH), —NH 2 , —OH, —CONH(CH 2 ) n1 —NH 2 , —CO—NH—CH(COOH)—(CH 2 ) n1 —COOH, —CO—NH—CH(COOH)—(CH 2 ) n1 —NH 2 , —O—CO—(CH 2 ) n1 —NH 2 , —O—CO—(CH 2 ) n1 —CHOH—CH 2 OH, —O—CO—(CH 2 ) n1 —OH, —O—CO—(CH 2 ) n1 —COOH, —O—CO—(CH 2 ) n1 —CHO, —O—CO—(CH 2 ) n1 —NH—CO—(CH 2 ) n2 —COOH, R 1 and R 2 each designate an acyl group derived from a saturated or unsaturated, straight-or branched-chain carboxylic acid having from 2 to 18 carbon atoms, which is unsubstituted or bears one to three substituents selected among hydroxyl, dihydroxyphosphoryloxy, alkyl of 2 to 18 carbon atoms, alkoxy of 2 to 18 carbon atoms, acyloxy of 2 to 18 carbon atoms in the acyl moiety, amino, acylamino.

  使用免疫调节化合物治疗与炎症细胞因子过度产生相关的疾病的方法，包括哮喘、特应性皮炎、过敏性鼻炎、前列腺炎、炎症性肠病、糖尿病和类风湿性关节炎等疾病，所述化合物的一般式（I）如下：其中：m和n独立地为1至4的整数，X和Y代表—COOH，—O—P（O）（OH）2，—O—SO2（OH），—NH2，—OH，—CONH（CH2）n1—NH2，—CO—NH—CH（COOH）—（ ）n1—COOH，—CO—NH—CH（COOH）—（ ）n1—NH2，—O—CO—（ ）n1—NH2，—O—CO—（ ）n1—CHOH— OH，—O—CO—（ ）n1—OH，—O—CO—（ ）n1—COOH，—O—CO—（ ）n1—CHO，—O—CO—（ ）n1—NH—CO—（ ）n2—COOH，R1和R2各自指代从饱和或不饱和的直链或支链羧酸衍生的酰基，其具有2至18个碳原子，未取代或带有1至3个氢氧基磷酸二酯氢氧基、2至18个碳原子的烷基、2至18个碳原子的烷氧基、酰氧基为酰基部分的2至18个碳原子的酰氧基、氨基、酰胺基中的一种或多种取代基。