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((1S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonamide

中文名称
——
中文别名
——
英文名称
((1S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonamide
英文别名
(+)-(1S)-camphorsulfonamide;[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
((1S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonamide化学式
CAS
——
化学式
C10H17NO3S
mdl
——
分子量
231.316
InChiKey
SBLUNABTQYDFJM-OMNKOJBGSA-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):
    0.4
  • 重原子数:
    15
  • 可旋转键数:
    2
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.9
  • 拓扑面积:
    85.6
  • 氢给体数:
    1
  • 氢受体数:
    4

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    参考文献:
    名称:
    DAVIS, FRANKLIN A.;TOWSON, JAMES C.;WEISMILLER, MICHAEL C.;LAL, SANKAR;CA+, J. AMER. CHEM. SOC., 110,(1988) N5, C. 8477-8482
    摘要:
    DOI:
  • 作为产物:
    描述:
    混旋樟脑磺酸ammonium hydroxide 以2%的产率得到
    参考文献:
    名称:
    DAVIS, FRANKLIN A.;TOWSON, JAMES C.;WEISMILLER, MICHAEL C.;LAL, SANKAR;CA+, J. AMER. CHEM. SOC., 110,(1988) N5, C. 8477-8482
    摘要:
    DOI:
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文献信息

  • Pyrrolo(oxo)isoquinolines as 5HT ligands
    申请人:Fevig M. John
    公开号:US20060014777A1
    公开(公告)日:2006-01-19
    The present application describes compounds according to Formula I, pharmaceutical compositions, comprising at least one compound according to Formula I and optionally at least one additional therapeutic agent and methods of treating various diseases, conditions and disorders associated with modulation of serotonin receptors such as, for example: metabolic diseases, which includes but is not limited to obesity, diabetes, diabetic complications, atherosclerosis, impared glucose tolerance and dyslipidemia; central nervous system diseases which includes but is not limited to, anxiety, depression, obsessive compulsive disorder, panic disorder, psychosis, schizophrenia, sleep disorder, sexual disorder and social phobias; cephalic pain; migraine; and gastrointestinal disorders using compounds according to Formula I or pharmaceutically acceptable salt forms thereof, wherein A, B, D, E, m, n, R 3 , R 7 , R 8 , R 9 , R 10 , R 11 and X are described herein.
    本申请描述了根据式I的化合物,包括至少一种根据式I的化合物和可选地至少一种额外的治疗剂的药物组合物,以及治疗与调节5-羟色胺受体相关的各种疾病、症状和紊乱的方法,例如:代谢性疾病,包括但不限于肥胖症、糖尿病、糖尿病并发症、动脉粥样硬化、糖耐量受损和血脂异常;中枢神经系统疾病,包括但不限于焦虑、抑郁症、强迫症、恐慌症、精神病、精神分裂症、睡眠障碍、性功能障碍和社交恐惧症;头痛;偏头痛;以及使用根据式I的化合物或其药用盐形式治疗胃肠道紊乱,其中A、B、D、E、m、n、R3、R7、R8、R9、R10、R11和X在此处描述。
  • [EN] SULFONAMIDE DERIVATES AS NLRP3 INHIBITORS<br/>[FR] DÉRIVÉS DE SULFONAMIDE UTILISÉS EN TANT QU'INHIBITEURS DE NLRP3
    申请人:INFLAZOME LTD
    公开号:WO2019166633A1
    公开(公告)日:2019-09-06
    The present invention relates to compounds of formula (I) : (I) wherein Q is selected from O or S; R1 is an optionally substituted hydrocarbyl group which may optionally include one or more heteroatoms N, O or S in its carbon skeleton, provided that the hydrocarbyl group includes at least one heteroatom N, O or S in its carbon skeleton or is substituted with a substituent comprising at least one heteroatom N, O or S, and provided that the atom of R1 which is attached to the sulfur atom of the remainder of the molecule is not a ring atom of a cyclic group; R2 is an α,α'-substituted cyclic group which may optionally be further substituted; R3 and R4 are each independently hydrogen, halogen, -OH, -NH2, -CN, -R5, -OR5, -NHRs or -N(R5)2; or R3 and R4 together with the carbon atom to which they are attached may form a 3- to 7- membered saturated or unsaturated, optionally substituted cyclic group; and R5 is independently optionally substituted C1-C4 alkyl. The present invention further relates to salts, solvates and prodrugs of such compounds, to pharmaceutical compositions comprising such compounds, and to the use of such compounds in the treatment and prevention of medical disorders and diseases, most especially by the inhibition of NLRP3.
    本发明涉及以下式(I)的化合物:(I)其中Q从O或S中选择;R1是一个可选择取代的烃基,其在碳骨架中可能包含一个或多个杂原子N、O或S,前提是烃基在其碳骨架中至少包含一个杂原子N、O或S,或者被一个含有至少一个杂原子N、O或S的取代基所取代,并且前提是R1的原子与分子的其余部分的硫原子相连的原子不是一个环的原子;R2是一个α,α'-取代的环基,可选择进一步取代;R3和R4各自独立地是氢、卤素、-OH、-NH2、-CN、-R5、-OR5、-NHRs或-N(R5)2;或者R3和R4与它们连接的碳原子一起可以形成一个3-至7-成员的饱和或不饱和、可选择取代的环基;R5独立地是可选择取代的C1-C4烷基。本发明还涉及这些化合物的盐、溶剂合物和前药,包括这些化合物的药物组合物,以及这些化合物在治疗和预防医学障碍和疾病中的用途,尤其是通过抑制NLRP3。
  • Ifosfamide, analogues thereof and their preparation
    申请人:——
    公开号:US20020052521A1
    公开(公告)日:2002-05-02
    The present invention pertains to a compound of formula (I) 1 wherein R 1 and R 2 are each (CH 2 ) m X, each X is Cl or Br and m is 2 or 3, in combination with less than 0.5% w/w of the corresponding compound wherein R 1 is (CH 2 ) m H. Such compounds can be prepared by (i) the reaction of a Bronsted acid or a Lewis acid with NaBH 4 in an organic solvent, and (ii) adding the resultant solution to a solution of a corresponding compound wherein one of R 1 and R 2 is CO(CH 2 ) n X and the other is CO(CH 2 ) n X or (CH 2 ) m X, wherein n=m−1. Such compounds can also be prepared, in optically-enriched form, starting from an optically-enriched trihaloiminophosphorane of the formula R*N=Phal 3 wherein NR* is a chiral moiety derivable from a chiral amine or chiral sulphonamide of the formula R*NH 2 , which can be cyclisable with HO(CH 2 ) 3 NHR.
    本发明涉及一种式(I)的化合物,其中R1和R2均为(CH2)mX,每个X为Cl或Br,m为2或3,与相应化合物中R1为(CH2)mH的化合物相比,其含量小于0.5% w/w。这些化合物可以通过以下步骤制备:(i)用有机溶剂反应Bronsted酸或Lewis酸与NaBH4;(ii)将所得溶液加入其中一个R1和R2分别为CO(CH2)nX和CO(CH2)nX或(CH2)mX的相应化合物的溶液中,其中n=m-1。这些化合物也可以以光学纯形式制备,其起始物为式R*N=Phal3的光学纯三卤代亚磷酰胺,其中NR*是可由手性胺或手性磺酰胺的式R*NH2衍生的手性基团,可与HO(CH2)3NHR环化。
  • Stereospecific enrichment of heterocyclic enantiomers
    申请人:R.T. Alamo Adventures I, LLC
    公开号:US20030120075A1
    公开(公告)日:2003-06-26
    The present invention describes methods for the stereoselective synthesis of heterocyclic enantiomers. The methods of the present invention incorporate the stereo-preferred oxidation of quinolone thiomethyl intermediates by optically active camphor based oxaziridines to provide R(+) or S(−) quinolone methylsulfinyl derivatives.
    本发明描述了手性杂环对映体的立体选择性合成方法。本发明的方法包括利用光学活性莰烯基氧杂环化合物对喹啉硫甲基中间体进行立体选择性氧化,从而提供R(+)或S(−)喹啉甲基亚磺酰衍生物。
  • SUCCINAMIDE INHIBITORS OF INTERLEUKIN-1BETA CONVERTING ENZYME
    申请人:WARNER-LAMBERT COMPANY LLC
    公开号:EP1082127B1
    公开(公告)日:2005-06-22
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