羧甲基-辅酶A | 79955-48-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - S-烷基辅酶A
• 中文名称: 羧甲基-辅酶A
• 英文名称: Carboxymethyl-coenzyme A
• 英文别名: 2-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]acetic acid
• CAS: 79955-48-9
• 化学式: C₂₃H₃₈N₇O₁₈P₃S
• 分子量: 825.6
• InChiKey: OBUOSIHPWVNVJN-GRFIIANRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.8
• 重原子数：
  52
• 可旋转键数：
  21
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  409
• 氢给体数：
  10
• 氢受体数：
  23

文献信息

• Novel compounds, pharmaceutical compositions containing same, and methods of use for same
  申请人：Kuhajda P. Francis

  公开号：US20060247302A1

  公开（公告）日：2006-11-02

  A pharmaceutical composition comprising a phamaceurtical diluent and a compound of formula IV wherein R 21 ═H, C 1 -C 20 alkyl, cycloalkyl, alkenyl, aryl, arylalkyl, or alkylaryl, —CH 2 OR 25 , —C(O)R 25 , —CO(O)R 25 , —C(O)NR 25 R 26 , —CH 2 C(O)R 25 , or —CH 2 C(O)NHR 25 , where R 25 and R 26 are each independently H, C 1 -C 10 alkyl, cycloalkyl, alkenyl, aryl, arylalkyl, or alkylaryl, optionally containing one or more halogen atoms. R 22 ═—OH, —OR 27 , —OCH 2 C(O)R 27 , —OCH 2 C(O)NHR 27 , —OC(O)R 27 , —OC(O)OR 27 , —OC(O)NHNH—R 5 , or —OC(O)NR 27 R 28 , where R 27 and R 28 are each independently H, C 1 -C 20 alkyl, cycloalkyl, alkenyl, aryl, arylalkyl, or alkylaryl, and where R 27 and R 28 can each optionally contain halogen atoms; R 23 and R 24 , the same or different from each other, are C 1 -C 20 alkyl, cycloalkyl, alkenyl, aryl, arylalkyl, or alkylaryl. Methods of using such formulations for the treatment of cancer, to effect weight loss, to treat microbially-based infections, to inhibit neuropeptide-Y and/or fatty acid synthase, and to stimulate CPT-1.

  一种制药组合物，包括一种制药稀释剂和一种公式IV的化合物，其中R21═H、C1-C20烷基、环烷基、烯基、芳基、芳基烷基或烷基芳基、—CH2OR25、—C（O）R25、—CO（O）R25、—C（O）NR25R26、—CH2C（O）R25或—CH2C（O）NHR25，其中R25和R26各自独立地为H、C1-C10烷基、环烷基、烯基、芳基、芳基烷基或烷基芳基，可选含有一个或多个卤素原子；R22═—OH、—OR27、—OCH2C（O）R27、—OCH2C（O）NHR27、—OC（O）R27、—OC（O）OR27、—OC（O）NHNH—R5或—OC（O）NR27R28，其中R27和R28各自独立地为H、C1-C20烷基、环烷基、烯基、芳基、芳基烷基或烷基芳基，且R27和R28均可选含有卤素原子；R23和R24相同或不同，为C1-C20烷基、环烷基、烯基、芳基、芳基烷基或烷基芳基。使用这种配方的方法包括用于治疗癌症、减轻体重、治疗微生物感染、抑制神经肽Y和/或脂肪酸合成酶以及刺激CPT-1。
• NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME
  申请人：Kuhajda Francis P.

  公开号：US20100029752A1

  公开（公告）日：2010-02-04

  A pharmaceutical composition containing a pharmaceutical diluent and a compound of formula II: wherein: R 8 ═H, C 1 -C 20 alkyl, cycloalkyl, alkenyl, aryl, arylalkyl, or alkylaryl, —C(O)R 4 , where R 4 is H, C 1 -C 20 alkyl, cycloalkyl, alkenyl, aryl, arylalkyl, or alkylaryl, optionally containing halogen atoms, or —OH, —OR 7 or —NR 7 , where R 7 is H, C 1 -C 20 alkyl, cycloalkyl, alkenyl, aryl, arylalkyl, or alkylaryl, optionally containing halogen atoms; R 9 =—OR 5 , —NR 5 , —NH—NH—R 5 where R 5 is H, C 1 -C 20 alkyl, cycloalkyl, alkenyl, aryl, arylalkyl, allyl, or alkylaryl, optionally containing halogen atoms; R 10 ═H, C 1 -C 20 alkyl, cycloalkyl, alkenyl, aryl, arylalkyl, or alkylaryl, or —CH 2 C(O)R 6 , where R 6 is OR 7 and NR 7 , where R 7 ═H, C 1 -C 20 alkyl, cycloalkyl, alkenyl, aryl, arylalkyl, allyl, or alkylaryl and can optionally contain halogen atoms. Also included in the invention are methods of using the pharmaceutical compositions and the chemical compounds used in the compositions.

  一种含有药物稀释剂和二式化合物的药物组合物，其中：R8═H、C1-C20烷基、环烷基、烯基、芳基、芳基烷基或烷基芳基，—C（O）R4，其中R4为H、C1-C20烷基、环烷基、烯基、芳基、芳基烷基或烷基芳基，可选地含有卤素原子，或—OH、—OR7或—NR7，其中R7为H、C1-C20烷基、环烷基、烯基、芳基、芳基烷基或烷基芳基，可选地含有卤素原子；R9=—OR5、—NR5、—NH—NH—R5，其中R5为H、C1-C20烷基、环烷基、烯基、芳基、芳基烷基、烯丙基或烷基芳基，可选地含有卤素原子；R10═H、C1-C20烷基、环烷基、烯基、芳基、芳基烷基或烷基芳基，或—CH2C（O）R6，其中R6为OR7和NR7，其中R7═H、C1-C20烷基、环烷基、烯基、芳基、芳基烷基、烯丙基或烷基芳基，可选地含有卤素原子。发明还包括使用药物组合物和组合物中使用的化学化合物的方法。
• ATP citrate lyase inhibitors for treating cancer
  申请人：The Trustees of The University of Pennsylvania

  公开号：EP2633856A2

  公开（公告）日：2013-09-04

  Methods of treating individuals identified as having cancer using ATP citrate lyase inhibitor and/or tricarboxylate transporter inhibitor are disclosed. Methods of inducing apoptosis in cancer cells using an ATP citrate lyase inhibitor and/or tricarboxylate transporter inhibitor are disclosed. Methods of treating an individual who has cancer comprising the steps of identifying the cancer as having a high rate of aerobic glycolysis, and administering an ATP citrate lyase inhibitor and/or tricarboxylate transporter inhibitor are disclosed. Methods of treating individuals who have cancer using compounds that inhibit the expression of ATP citrate lyase or tricarboxylate transporter are disclosed. Methods of identifying a compound with anticancer activity are disclosed.

  公开了使用 ATP 柠檬酸溶解酶抑制剂和/或三羧酸盐转运体抑制剂治疗被确定为癌症患者的方法。公开了使用 ATP 柠檬酸溶解酶抑制剂和/或三羧酸盐转运体抑制剂诱导癌细胞凋亡的方法。本发明公开了治疗癌症患者的方法，包括以下步骤：将癌症鉴定为有氧糖酵解率高，并施用ATP柠檬酸裂解酶抑制剂和/或三羧酸盐转运体抑制剂。公开了使用抑制 ATP 柠檬酸溶解酶或三羧酸转运体表达的化合物治疗癌症患者的方法。公开了鉴定具有抗癌活性的化合物的方法。
• Methods and pharmaceutical compositions for modulating autophagy in a subject in need thereof
  申请人：INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE)

  公开号：US11040052B2

  公开（公告）日：2021-06-22

  The present invention provides novel methods for the modulation of autophagy and the treatment of autophagy-related diseases, including cancer, neurodegenerative diseases, liver diseases, muscle diseases and pancreatitis.

  本发明提供了调节自噬和治疗自噬相关疾病（包括癌症、神经退行性疾病、肝脏疾病、肌肉疾病和胰腺炎）的新方法。
• CHEMOTHERAPY FOR CANCER
  申请人：THE JOHNS HOPKINS UNIVERSITY

  公开号：EP0651636B1

  公开（公告）日：2002-10-02