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2-甲基噁唑并[5,4-c]吡啶 | 83431-05-4

中文名称
2-甲基噁唑并[5,4-c]吡啶
中文别名
2-甲基恶唑并[5,4-C]吡啶
英文名称
2-methyloxozalo<5,4-c>pyridine
英文别名
2-Methyloxazolo[5,4-c]pyridine;2-methyl-[1,3]oxazolo[5,4-c]pyridine
2-甲基噁唑并[5,4-c]吡啶化学式
CAS
83431-05-4
化学式
C7H6N2O
mdl
MFCD11846136
分子量
134.137
InChiKey
REIGRVQTXHOLRP-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

物化性质

  • 熔点:
    46-48 °C
  • 沸点:
    232.0±13.0 °C(Predicted)
  • 密度:
    1.229±0.06 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    1.1
  • 重原子数:
    10
  • 可旋转键数:
    0
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.142
  • 拓扑面积:
    38.9
  • 氢给体数:
    0
  • 氢受体数:
    3

安全信息

  • 海关编码:
    2934999090

反应信息

  • 作为产物:
    描述:
    3-methylisooxozolo<5,4-c>pyridine甲醇 为溶剂, 以36%的产率得到2-甲基噁唑并[5,4-c]吡啶
    参考文献:
    名称:
    Camparini, Alfredo; Chimichi, Stefano; Ponticelli, Fabio, Heterocycles, 1982, vol. 19, # 8, p. 1511 - 1515
    摘要:
    DOI:
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文献信息

  • [EN] ANTI-CANCER AND ANTI-HIV COMPOUNDS<br/>[FR] COMPOSÉS ANTICANCÉREUX ET ANTI-VIH
    申请人:SIRENAS MARINE DISCOVERY
    公开号:WO2014123900A1
    公开(公告)日:2014-08-14
    Disclosed herein are compounds useful as anti-cancer and anti-HIV agents. Also disclosed are pharmaceutical compositions and methods of treatment. The compounds disclosed herein can be used to treat a variety of conditions, diseases and ailments such as bladder cancer, breast cancer, colon cancer, rectal cancer, endometrial cancer, kidney cancer, lung cancer, melanoma, non-Hodgkin lymphoma, glioblastoma, pancreatic cancer, prostate cancer, and thyroid cancer, and HIV related disorders.
    本文披露了作为抗癌和抗HIV药物有用的化合物。还披露了药物组合物和治疗方法。本文披露的化合物可用于治疗多种疾病和疾病,如膀胱癌、乳腺癌、结肠癌、直肠癌、子宫内膜癌、肾癌、肺癌、黑色素瘤、非霍奇淋巴瘤、胶质母细胞瘤、胰腺癌、前列腺癌和甲状腺癌,以及HIV相关疾病。
  • SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME
    申请人:BlinkBio, Inc.
    公开号:US20170202970A1
    公开(公告)日:2017-07-20
    Described herein are silicon based conjugates capable of delivering one or more payload moieties to a target cell or tissue. Contemplated conjugates may include a silicon-heteroatom core, one or more optional catalytic moieties, a targeting moiety that permits accumulation of the conjugate within a target cell or tissue, one or more payload moieties (e.g., a therapeutic agent or imaging agent), and two or more non-interfering moieties covalently bound to the silicon-heteroatom core.
    本文描述了基于的共轭物,能够将一个或多个有效载荷基团传递到靶细胞或组织。考虑到的共轭物可能包括一个-杂原子核心,一个或多个可选的催化基团,一个定位基团,允许共轭物在靶细胞或组织内积累,一个或多个有效载荷基团(例如,治疗剂或成像剂),以及与-杂原子核心共价结合的两个或更多个不干扰基团。
  • [EN] HEPATITIS C VIRUS INHIBITORS<br/>[FR] INHIBITEURS DU VIRUS DE L'HEPATITE C
    申请人:BRISTOL MYERS SQUIBB CO
    公开号:WO2003099274A1
    公开(公告)日:2003-12-04
    Hepatitis C virus inhibitors are disclosed having the general formula:(I) wherein R1, R2, R3, R', B, Y and X are described in the description. Compositions comprising the compounds and methods for using the compounds toinhibit HCV are also disclosed.
    丙型肝炎病毒抑制剂公开了具有以下通式:其中R1、R2、R3、R'、B、Y和X在描述中有所描述。还公开了包含该化合物的组合物以及使用该化合物抑制HCV的方法。
  • [EN] HETEROARYL SULFONE-BASED CONJUGATION HANDLES, METHODS FOR THEIR PREPARATION, AND THEIR USE IN SYNTHESIZING ANTIBODY DRUG CONJUGATES<br/>[FR] LIEURS DE CONJUGAISON À BASE D'HÉTÉROARYLSULFONES, LEURS PROCÉDÉS DE PRÉPARATION ET LEUR UTILISATION DANS LA SYNTHÈSE DE CONJUGUÉS ANTICORPS-MÉDICAMENT
    申请人:PFIZER
    公开号:WO2018025168A1
    公开(公告)日:2018-02-08
    The present invention is directed to novel heteroaryl sulfone-based conjugation handles of the formula: (wherein R1, R2, Het, D, E, X, Y, Z, m, n, p, q, r, s and t are as defined herein), methods for their preparation, their use in synthesizing antibody drig conjugates, and the resulting antibody drig conjugates made with components having heteroaryl sulfone- based conjugation handles.
    本发明涉及新型杂芳基磺酰亚胺基团连接手柄,其公式如下:(其中R1、R2、Het、D、E、X、Y、Z、m、n、p、q、r、s和t的定义如本文中所述),其制备方法,以及它们在合成抗体药物偶联物中的应用,以及使用具有杂芳基磺酰亚胺基团连接手柄的组件制成的抗体药物偶联物。
  • OXADIAZOLE DERIVATIVE HAVING ENDOTHELIAL LIPASE INHIBITORY ACTIVITY
    申请人:Masuda Koji
    公开号:US20120253040A1
    公开(公告)日:2012-10-04
    Disclosed is a compound which is useful as an endothelial lipase inhibitor. A compound represented by the formula: its pharmaceutically acceptable salt, or a solvate thereof, wherein Ring A is aromatic carbocycle or aromatic heterocycle, Z is —NR 5 —, —O— or —S—, R 5 is hydrogen, substituted or unsubstituted alkyl, substituted or unsubstituted alkenyl, substituted or unsubstituted alkynyl, substituted or unsubstituted aryl or the like, R 1 is hydrogen, halogen, hydroxy, cyano, nitro, carboxy, substituted or unsubstituted alkyl, substituted or unsubstituted alkenyl or the like, R 2 and R 3 are each independently hydrogen, halogen, hydroxy or the like, R 4 is a group represented by the formula: —(CR 6 R 7 )n-R 8 , wherein R 6 and R 7 are each independently hydrogen, halogen, hydroxy or the like, n is an integer of 0 to 3, R 8 is carboxy, cyano, substituted or unsubstituted alkyl or the like, R x is halogen, hydroxy, cyano, nitro, carboxy, substituted or unsubstituted alkyl, substituted or unsubstituted alkenyl or the like, m is an integer of 0 to 3.
    揭示了一种作为内皮酶抑制剂有用的化合物。 一种由下式表示的化合物: 其药学上可接受的盐,或其溶剂化合物, 其中 环A是芳香碳环或芳香杂环, Z是-NR 5 —,-O-或-S-, R 5 是氢,取代或未取代的烷基,取代或未取代的烯基,取代或未取代的炔基,取代或未取代的芳基或类似物, R 1 是氢,卤素,羟基,基,硝基,羧基,取代或未取代的烷基,取代或未取代的烯基或类似物, R 2 和R 3 各自独立地是氢,卤素,羟基或类似物, R 4 是由下式表示的基团:-(CR 6 R 7 )n-R 8 , 其中R 6 和R 7 各自独立地是氢,卤素,羟基或类似物,n是0到3的整数,R 8 是羧基,基,取代或未取代的烷基或类似物, R x 是卤素,羟基,基,硝基,羧基,取代或未取代的烷基,取代或未取代的烯基或类似物, m是0到3的整数。
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表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
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cnmr
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  • 峰位数据
  • 峰位匹配
  • 表征信息
Shift(ppm)
Intensity
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Assign
Shift(ppm)
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测试频率
样品用量
溶剂
溶剂用量
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同类化合物

甲基吡噁磷 甲基吡啶磷-d6 恶唑并[5,4-B]吡啶-2-胺二盐酸盐 恶唑并[5,4-B]吡啶-2-胺 恶唑并[5,4-B]吡啶-2(1H)-硫酮 恶唑并[4,5-B]吡啶-2(3H)硫酮 噁唑并[5,4-c]吡啶-2-胺 噁唑并[5,4-c]吡啶-2(1h)-酮 噁唑并[5,4-b]吡啶-2(1h)-酮 噁唑并[5,4-b]吡啶 噁唑并[4,5-c]吡啶-2-胺 噁唑并[4,5-b]吡啶-2-胺 噁唑并[4,5-b]吡啶-2-羧酸乙酯 噁唑并[4,5-b]吡啶-2(3H)-酮,6-溴-3-(苯基甲基)- 噁唑并[4,5-b]吡啶-2(3H)-酮,6-乙酰基-3-[2-(2-吡啶基)乙基]- 噁唑并[4,5-b]吡啶-2(3H)-酮,3-(2-羰基丙基)- 噁唑并[4,5-b]吡啶-2(3H)-酮,3-(2-氨基乙基)-,盐酸盐 噁唑并[4,5-b]吡啶,2-(1-甲基乙基)-(9CI) 噁唑并[4,5-b]吡啶 噁唑并[4,5-C]吡啶-2(3H)-硫酮 噁唑并[4,5-C]吡啶 乙酮,1-噁唑并[4,5-b]吡啶-2-基-(9CI) [1,3]恶唑并[4,5-c]吡啶-6-羧酸 7-溴恶唑并[4,5-C]吡啶 7-溴-2-甲基-F唑并[4,5-C]吡啶 7-溴-2-乙基恶唑并[4,5-C]吡啶 6-溴恶唑并[5,4-B]吡啶-2-胺 6-溴恶唑并[5,4-B]吡啶 6-溴噁唑并[4,5-b]吡啶 6-溴-3H-恶唑并[4,5-b]吡啶-2-酮 6-溴-2-甲基噁唑并[5,4-b]吡啶 6-溴-2-甲基噁唑并[4,5-B]吡啶 6-溴-2-(三氟甲基)噁唑并[5,4-B]吡啶 6-溴-2-(三氟甲基)噁唑并[4,5-b]吡啶 6-氯恶唑并[4,5-b]吡啶-2(3H)-酮 5-甲基噁唑并[4,5-b]吡啶-2(3h)-酮 5-甲基[1,3]恶唑并[5,4-b]吡啶-2-醇 5-甲基-3H-恶唑并[4,5-B]吡啶-2-硫酮 5-溴[4,5-B]吡啶 5-溴-3H-恶唑并[4,5-b]吡啶-2-酮 3-[2-(4-氯苯基)乙基]-2-苯基亚氨基-1,3-噻唑烷-4-酮 3-(2-溴乙基)恶唑并[4,5-b]吡啶-2(3H)-酮 3-(2-吗啉-4-基乙基)[1,3]噁唑并[4,5-b]吡啶-2(3H)-酮 2-甲硫基唑并[4,5-B]吡啶 2-甲基硫基 [ 1,3 ] 恶唑酮[5,4-C]吡啶 2-甲基噁唑并[5,4-c]吡啶 2-甲基噁唑并[5,4-b]吡啶 2-甲基吡啶并噁唑 2-甲基[1,3]恶唑并[4,5-c]吡啶-7-胺 2-甲基[1,3]噁唑并[4,5-b]吡啶