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4-吗啉乙磺酸 | 1266615-59-1

中文名称
4-吗啉乙磺酸
中文别名
MES水合物;2-吗啉乙磺酸-水合物
英文名称
2-(Morpholinium-4-yl)ethanesulfonate monohydrate
英文别名
2-morpholin-4-ium-4-ylethanesulfonate;hydrate
4-吗啉乙磺酸化学式
CAS
1266615-59-1
化学式
C6H15NO5S
mdl
——
分子量
213.25
InChiKey
MIIIXQJBDGSIKL-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    -1.62
  • 重原子数:
    13
  • 可旋转键数:
    3
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    1.0
  • 拓扑面积:
    76.2
  • 氢给体数:
    2
  • 氢受体数:
    6

反应信息

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文献信息

  • Matrix metalloproteinase inhibitors
    申请人:——
    公开号:US20030078276A1
    公开(公告)日:2003-04-24
    Compounds are provided that bind allosterically to the catalytic domain of MMP-13 and comprise a hydrophobic group, first and second hydrogen bond acceptors and at least one, and preferably both, of a third hydrogen bond acceptor and a second hydrophobic group. Cartesian coordinates for centroids of the above features are defined in the specification. When the ligand binds to MMP-13, the first, second and third (when present) hydrogen bond acceptors bond respectively with Thr245, Thr 247 and Met 253, the first hydrophobic group locates within the S1′ channel of MMP-13 and the second hydrophobic group (when present) is relatively open to solvent. The compounds specifically inhibit the matrix metalloproteinase-13 enzyme and thus are useful for treating diseases resulting from tissue breakdown, such as heart disease, multiple sclerosis, arthritis, atherosclerosis, and osteoporosis.
    提供了一些与MMP-13的催化结构域发生变构结合的化合物,包括一个疏基团,第一和第二氢键受体,以及至少一个,最好是两个,第三氢键受体和第二疏基团。上述特征的质心的笛卡尔坐标在说明书中定义。当配体与MMP-13结合时,第一、第二和第三(存在时)氢键受体分别与Thr245、Thr247和Met253结合,第一个疏基团位于MMP-13的S1'通道内,第二疏基团(存在时)相对于溶剂是开放的。这些化合物特异性地抑制基质蛋白酶-13酶,因此可用于治疗由组织分解引起的疾病,如心脏病、多发性硬化症、关节炎、动脉粥样硬化和骨质疏松症。
  • [EN] COMPOSITIONS, DEVICES AND METHODS FOR TREATING FABRY DISEASE<br/>[FR] COMPOSITIONS, DISPOSITIFS ET MÉTHODES DE TRAITEMENT DE LA MALADIE DE FABRY
    申请人:SIGILON THERAPEUTICS INC
    公开号:WO2020198685A1
    公开(公告)日:2020-10-01
    Described herein are RPE cells engineered to secrete a GLA protein, as well as compositions, pharmaceutical preparations, and implantable devices comprising the engineered RPE cells, and methods of making and using the same for treating Fabry disease.
    本文描述了工程化的RPE细胞,用于分泌GLA蛋白,以及包括这些工程化RPE细胞的组合物、药物制剂和可植入装置,以及用于治疗法布瑞病的制备和使用方法。
  • [EN] METHODS FOR SELECTIVELY MODIFYING AMINO ACIDS AND PRODUCTS MADE THEREBY<br/>[FR] PROCÉDÉS DE MODIFICATION SÉLECTIVE D'ACIDES AMINÉS ET PRODUITS FABRIQUÉS PAR CEUX-CI
    申请人:UNIV CALIFORNIA
    公开号:WO2021007127A1
    公开(公告)日:2021-01-14
    Disclosed herein are methods for the selective substitution of a hydrogen bonded to a carbon atom (e.g., a hydrogen of an aliphatic methylene group) of a compound, which comprise contacting the compound with a substituent in the presence of a BesD halogenase.
    本文披露了一种选择性替代化合物中与碳原子结合的氢(例如,脂肪族亚甲基基团的氢)的方法,包括在BesD卤素酶存在的情况下将化合物与取代基接触。
  • ALGINIC ACID DERIVATIVE BONDED TO NONSTEROIDAL ANTI-INFLAMMATORY COMPOUND
    申请人:MOCHIDA PHARMACEUTICAL CO., LTD.
    公开号:US20210000968A1
    公开(公告)日:2021-01-07
    Provided is water-soluble compound that can be used in a sustained-release preparation and is capable of stably releasing a fixed amount of an active ingredient in vivo by using the novel potential base material option of alginic acid as the base material. The present invention relates to an alginic acid derivative having a structure which is obtained by covalently bonding a nonsteroidal anti-inflammatory compound and alginic acid or a salt thereof via a linker, and preferably relates to an alginic acid derivative represented by formula (1) (in the formula: (A) represents one residue derived from alginic acid or a salt thereof and having the C(═O)— group from either L-guluronic acid or D-mannuronic acid, the monosaccharides that constitute alginic acid; (D) represents one residue from a nonsteroidal anti-inflammatory compound; and -L- represents a linker having a functional group which is capable of bonding to (A) by means of an amide bond and having a functional group which is capable of bonding to (D) by means of an ester bond). (D)-L-(A)  (1)
    提供的是一种溶性化合物,可以用于持续释放制剂,并能够稳定地通过使用新型潜在基材料选项海藻酸作为基材料在体内释放固定量的活性成分。本发明涉及一种通过连接剂以共价键结合非甾体类抗炎化合物和海藻酸或其盐而获得的结构的海藻酸生物,优选涉及由式(1)所表示的海藻酸生物(在该式中:(A)表示从海藻酸或其盐中派生的一个残基,并且具有构成海藻酸L-古洛糖酸D-甘露糖酸中的C(═O)基团的单糖;(D)表示来自非甾体类抗炎化合物的一个残基;以及-L-表示具有能够通过酰胺键与(A)结合的功能基团,并且具有能够通过酯键与(D)结合的功能基团的连接剂)。(D)-L-(A)  (1)
  • Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors
    申请人:——
    公开号:US20030087924A1
    公开(公告)日:2003-05-08
    The invention provides dicarboxylic acid-substituted heteroaryl derivatives of the formula G 1 -(C(R 1 )R 2 ) n -Q 1 -B-Q 2 -(C(R 3 )R 4 ) m -G 2 I or a pharmaceutically acceptable salt thereof, wherein G 1 , G 2 , R 1 , R 2 , R 3 , R 4 , n, m, Q 1 , Q 2 , and B are as defined in the specification. The invention compounds are inhibitors of matrix metalloproteinase enzymes, including MMP-13. This invention also provides pharmaceutical compositions and methods of treating diseases mediated by MMP-13, including arthritis, asthma, heart disease, atherosclerosis, and osteoporosis, or a pharmaceutically acceptable salt thereof.
    该发明提供了公式G1-(C(R1)R2)n-Q1-B-Q2-(C(R3)R4)m-G2的二羧酸取代的杂环衍生物,或其药用可接受的盐,其中G1、G2、R1、R2、R3、R4、n、m、Q1、Q2和B如规范中所定义。该发明化合物是基质蛋白酶酶的抑制剂,包括MMP-13。该发明还提供了药物组合物和治疗由MMP-13介导的疾病的方法,包括关节炎、哮喘、心脏病、动脉粥样硬化和骨质疏松症,或其药用可接受的盐。
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