4-[[[1-methyl-4-[[[[1-methyl-5-[[(4-sulfo-1-naphthalenyl)amino]carbonyl]-1H-pyrrol-3-yl]amino]carbonyl]amino]-1H-pyrrol-2-yl]carbonyl]amino]-1-naphthalenesulfonic acid | 159555-94-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4-[[[1-methyl-4-[[[[1-methyl-5-[[(4-sulfo-1-naphthalenyl)amino]carbonyl]-1H-pyrrol-3-yl]amino]carbonyl]amino]-1H-pyrrol-2-yl]carbonyl]amino]-1-naphthalenesulfonic acid
• 英文别名: 4-[[1-Methyl-4-[[1-methyl-5-[(4-sulfonaphthalen-1-yl)carbamoyl]pyrrol-3-yl]carbamoylamino]pyrrole-2-carbonyl]amino]naphthalene-1-sulfonic acid
• CAS: 159555-94-9
• 化学式: C₃₃H₂₈N₆O₉S₂
• 分子量: 716.752
• InChiKey: PXYWHXBHHUDTQY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  50
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  235
• 氢给体数：
  6
• 氢受体数：
  9

文献信息

• Compounds which bind PSMA and uses thereof
  申请人：Heston Warren D.W.

  公开号：US20080311037A1

  公开（公告）日：2008-12-18

  A compound is represented by Structural Formula A1: C—B-L-A  A1 or a pharmaceutically acceptable salt or solvate thereof. A is a prostate specific membrane antigen (PSMA) ligand; L is an optionally substituted aliphatic or heteroaliphatic linking group; B includes at least one optionally substituted moiety selected from the group consisting of a sugar, a charged group, an aryl ring, and a heteroaryl ring, wherein B optionally includes a drug or a labeling agent; and C is H, a drug, or a labeling agent, wherein CB together comprises the drug or the labeling agent. The compounds are useful as PSMA agents and in pharmaceutical compositions, methods for treating and detecting diseases such as cancer in a subject, methods for identifying cancer cells in a sample, methods for inhibiting tumor neovascularization, methods for identifying drugs that can treat cancer, and the like.
• US6348464B1
  申请人：——

  公开号：US6348464B1

  公开（公告）日：2002-02-19
• [EN] PYRROLECARBONYLIMINO DERIVATIVES AS NAALADASE INHIBITORS<br/>[FR] DERIVES DE PYRROLECARBONYLIMINO UTILISES COMME INHIBITEURS DE LA NAALADase
  申请人：GUILFORD PHARM INC

  公开号：WO2001034596A2

  公开（公告）日：2001-05-17

  The present invention relates to pharmaceutical compositions and methods of using pyrrolecarbonylimino derivatives to inhibit N-Acetylated α-Linked Acidic Dipeptidase (NAALADase) enzyme activity, thereby effecting neuronal activities, inhibiting angiogenesis, and treating glutamate abnormalities, compulsive disorders, prostate diseases and cancers.
• [EN] COMPOUNDS WHICH BIND PSMA AND USES THEREOF<br/>[FR] COMPOSES SE LIANT A L'ANTIGENE MEMBRANAIRE SPECIFIQUE DE LA PROSTATE (PSMA) ET UTILISATIONS ASSOCIEES
  申请人：CLEVELAND CLINIC FOUNDATION

  公开号：WO2006093991A1

  公开（公告）日：2006-09-08

  [EN] A compound is represented by Structural Formula Al : C-B-L-A Al or a pharmaceutically acceptable salt or solvate thereof . A is a prostate specific membrane antigen (PSMA) ligand; L is an optionally substituted aliphatic or heteroaliphatic linking group; B includes at least one optionally substituted moiety selected from the group consisting of a sugar, a charged group, an aryl ring, and a heteroaryl ring, wherein B optionally includes a drug or a labeling agent; and C is H, a drug, or a labeling agent, wherein CB together comprises the drug or the labeling agent. The compounds are useful as PSMA agents and in pharmaceutical compositions, methods for treating and detecting diseases such as cancer in a subject, methods for identifying cancer cells in a sample, methods for inhibiting tumor neovascularization, methods for identifying drugs that can treat cancer, and the like.
  [FR] L'invention concerne un composé représenté par la formule structurelle A1: C-B-L-A (A1), ou un sel ou solvate pharmaceutiquement acceptable de celui-ci, dans laquelle A représente un ligand d'antigène membranaire spécifique de la prostate (PSMA); L représente un groupe de liaison aliphatique ou hétéroaliphatique facultativement substitué; B comprend au moins une fraction facultativement substituée choisie dans le groupe constitué par un sucre, un groupe chargé, un cycle aryle et un cycle hétéroaryle, B comprenant facultativement un médicament ou un agent de marquage; et C représente H, un médicament ou un agent de marquage, CB ensemble comprenant le médicament ou l'agent de marquage. Les composés selon l'invention sont utiles en tant qu'agents PSMA et dans des compositions pharmaceutiques, des méthodes de traitement et de dépistage chez un patient de maladies telles que le cancer, des méthodes d'identification de cellules cancéreuses dans un échantillon, des méthodes d'inhibition de la néovascularisation tumorale, des méthodes d'identification de médicaments aptes à traiter le cancer, et analogues.