异氰酸基甲氧基甲烷 | 6427-21-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 异氰酸基甲氧基甲烷
• 英文名称: methoxymethyl isocyanate
• 英文别名: Methoxy-methylisocyanat；isocyanato(methoxy)methane
• CAS: 6427-21-0
• 化学式: C₃H₅NO₂
• 分子量: 87.0782
• InChiKey: HTVHSOYSKFBUGY-UHFFFAOYSA-N

物化性质

• 沸点：
  87.5 °C
• 密度：
  0.99±0.1 g/cm3(Predicted)
• 物理描述：
  Methoxymethyl isocyanate appears as a colorless liquid with a pungent odor. Very toxic by inhalation and skin absorption. Vapors are heavier than air.

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  6
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  38.7
• 氢给体数：
  0
• 氢受体数：
  3

ADMET

毒理性

• 副作用

催泪剂（Lacrimator 或 Lachrymator）- 一种刺激眼睛并引起流泪的物质。

Lacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.

来源:Haz-Map, Information on Hazardous Chemicals and Occupational Diseases

安全信息

• 危险等级：
  3.1
• 海关编码：
  2929109000
• 危险类别：
  3.1
• 危险品运输编号：
  UN 2605

反应信息

• 作为反应物：
  描述：

  2,4-二氯-6-硝基苯酚 、 异氰酸基甲氧基甲烷 在 三乙胺 作用下， 生成 Carbamic acid, (methoxymethyl)-, 2,4-dichloro-6-nitrophenyl ester
  参考文献：
  名称：

  DD129391

  摘要：

  公开号：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 生成 异氰酸基甲氧基甲烷
  参考文献：
  名称：

  Jones; Powers, Journal of the American Chemical Society, 1924, vol. 46, p. 2530

  摘要：

  DOI：

文献信息

• Dialkoxy-phosphonyl-N-alkyl-formic acid amides
  申请人：Bayer Aktiengesellschaft

  公开号：US04400331A1

  公开（公告）日：1983-08-23

  The present invention relates to a process for the preparation of polyurethane foams capable of being flame laminated and high frequency welded, comprising reacting: (a) polyisocyanate, (b) a compound having a molecular weight of from 400 to 10,000 containing at least two isocyanate-reactive hydrogen atoms and (c) a dialkoxy-phosphonyl-N-alkyl-formic acid amide of the formula: ##STR1## wherein m represents an integer of from 1 to 3, n represents an integer of from 0 to 8, X represents halogen, hydrogen, C.sub.1 to C.sub.6 alkyl, -OR, or ##STR2## R represents C.sub.1 to C.sub.6 alkyl, R.sub.1 represents hydrogen, C.sub.1 to C.sub.10 alkyl, C.sub.1 to C.sub.10 alkylene, C.sub.6 to C.sub.10 aryl or C.sub.6 to C.sub.10 arylene, and R.sub.2 and R.sub.3, which may be the same or different, represent C.sub.1 to C.sub.10 alkyl in the presence of water and/or blowing agent. The present invention also relates to dialkoxy-phosphonyl-N-formic acid amides.

  本发明涉及一种制备聚氨酯泡沫的方法，该泡沫能够进行火焰层压和高频焊接，包括反应：(a)聚异氰酸酯，(b)分子量在400至10,000之间的化合物，含有至少两个异氰酸反应性氢原子，和(c)具有以下结构的二烷氧基磷酰-N-烷基甲酸酰胺：##STR1## 其中m表示1到3的整数，n表示0到8的整数，X表示卤素、氢、C.sub.1到C.sub.6烷基、-OR或##STR2## R表示C.sub.1到C.sub.6烷基，R.sub.1表示氢、C.sub.1到C.sub.10烷基、C.sub.1到C.sub.10亚烷基、C.sub.6到C.sub.10芳基或C.sub.6到C.sub.10芳亚烷基，R.sub.2和R.sub.3，可以相同也可以不同，表示C.sub.1到C.sub.10烷基，在水和/或发泡剂的存在下进行。本发明还涉及二烷氧基磷酰-N-甲酸酰胺。
• Antitumor imidazo[5,1-d]-1,2,3,5-tetrazines: compounds modified at the 3-position overcome resistance in human glioblastoma cell lines
  作者：David Cousin、Jihong Zhang、Marc G. Hummersone、Charles S. Matthews、Mark Frigerio、Tracey D. Bradshaw、Malcolm F. G. Stevens

  DOI：10.1039/c6md00384b

  日期：——

  Synthetic routes to 3-substituted imidazo[5,1-d]-1,2,3,5-tetrazines structurally related to temozolomide were explored. Interaction of 4-diazoimidazole-5-carboxamide with an isocyanate afforded high product yields when the isocyanate was available in acceptable purity. Alternatively, alkylation of the nor-temozolomide anion afforded high yields of new imidazotetrazines. Several compounds, evaluated

  探索了与替莫唑胺结构相关的3-取代的咪唑并[5,1- d ] -1,2,3,5-四嗪的合成途径。当以可接受的纯度获得异氰酸酯时，4-重氮咪唑-5-羧酰胺与异氰酸酯的相互作用提供了高产物收率。可选地，正-替唑啉酰亚胺阴离子的烷基化提供了高产率的新的咪唑并四嗪。针对含有匹配的MGMT±胶质瘤细胞系的一组化合物评估的几种化合物，无论MGMT的状态如何，均表现出相同的抑制活性。N3-炔丙基-咪唑并四嗪（10m）被优先作为替莫唑胺的替代品，后者能够绕过耐药机制。在Taq聚合酶测定法10m像替莫唑胺及其开环对应物MTIC一样，在三个和五个鸟嘌呤残基簇上的烷基化DNA；在哌啶裂解试验中检测到鸟嘌呤N-7位的共价修饰。化合物10m没有交联DNA，但是通过γ-H2AX检测证明诱导了双链断裂。炔丙基取代的咪唑三嗪（13g）显示出与10m相当的活性，表明新的咪唑四嗪的双环核开环可能是活性所必需的。
• [EN] 3-SUBSTITUTED-8-SUBSTITUTED-3H IMIDAZO[5,1-D][1,2,3,5-TETRAZIN-4-ONE COMPOUNDS AND THEIR USE<br/>[FR] COMPOSÉS 3H-IMIDAZO[5,1-D][1,2,3,5-TÉTRAZIN-4-ONE 3-SUBSTITUÉS-8-SUBSTITUÉS ET LEUR UTILISATION
  申请人：PHARMINOX LTD

  公开号：WO2010149968A1

  公开（公告）日：2010-12-29

  The present invention pertains generally to the field of therapeutic compounds, and more specifically to 3-substituted-8-substituted-3H-imidazo[5,1-d][1,2,3,5]tetrazin-4-one compounds of the following formula, wherein -A and -B are as defined herein (collectively referred to herein as 38TM compounds): (1). The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit cell proliferation, and in the treatment of proliferative disorders such as cancer, etc., and methods of preparing such compounds.

  本发明一般涉及治疗化合物领域，更具体地涉及以下公式的3-取代-8-取代-3H-咪唑[5,1-d][1,2,3,5]四唑-4-酮化合物，其中-A和-B如本文所定义（统称为38TM化合物）：（1）。本发明还涉及包含这种化合物的药物组合物，以及利用这种化合物和组合物在体外和体内抑制细胞增殖，治疗增生性疾病如癌症等的用途，以及制备这种化合物的方法。
• [EN] 8 - SULFO - IMIDAZOTETRAZIN- 4 - ONE COMPOUNDS AND THEIR USE AS ANTICANCER DRUG<br/>[FR] COMPOSÉS 8-SULFO-IMIDAZOTÉTRAZIN-4-ONE ET LEUR UTILISATION EN TANT QUE MÉDICAMENT ANTICANCÉREUX
  申请人：PHARMINOX LTD

  公开号：WO2012085501A1

  公开（公告）日：2012-06-28

  Compounds of formula (I) and pharmaceutically acceptable salts, hydrates or solvates thereof are provided (I) wherein B, X, and Y are as defined herein. The compounds are of use in methods of regulating cell proliferation, inhibiting cell cycle progression, and/or promoting apoptosis, and in the treatment of proliferative disorders.

  提供具有化学式（I）及其药用可接受的盐、水合物或溶剂化合物（I）的其中B、X和Y的定义如本文所述。这些化合物在调节细胞增殖、抑制细胞周期进展和/或促进凋亡的方法中有用，并用于治疗增生性疾病。
• Carbamate pesticidal compositions
  申请人：Union Carbide Corporation

  公开号：US03956500A1

  公开（公告）日：1976-05-11

  Novel 1,3-oxathiolane and 1,4-oxathiane carbamoyloximes have been found to have exceptional miticidal, insecticidal and nematocidal activity.

  小说1,3-噁硫杂环丙烷和1,4-噁硫杂环戊烷羰基肟已被发现具有出色的杀螨、杀虫和杀线虫活性。