5-(aminomethyl)-2-methylpyrimidin-4-amine dihydrochloride | 874-43-1

• 物质功能分类: 医药中间体 - 杂环化合物 - 嘧啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 5-(aminomethyl)-2-methylpyrimidin-4-amine dihydrochloride
• 英文别名: 4-amino-5-(aminomethyl)-2-methylpyrimidine dihydrochloride；5-aminomethyl-2-methyl-pyrimidin-4-ylamine; dihydrochloride；5-Aminomethyl-2-methyl-pyrimidin-4-ylamin; Dihydrochlorid；2-methyl-4-amino-5-aminomethylpyrimidine.dihydrochloride；5-Aminomethyl-2-methyl-pyrimidin-4-ylamin-hydrochlorid；5-(Aminomethyl)-2-methylpyrimidin-4-amine hydrochloride；5-(aminomethyl)-2-methylpyrimidin-4-amine;hydrochloride
• CAS: 874-43-1
• 化学式: C₆H₁₀N₄*2ClH
• 分子量: 211.094
• InChiKey: NFWNCFCJMYPOBH-UHFFFAOYSA-N

物化性质

• 熔点：
  270-272°C
• 溶解度：
  DMSO（轻微）、甲醇（轻微、加热）、水（轻微）

计算性质

• 辛醇/水分配系数(LogP)：
  0.25
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  79.1
• 氢给体数：
  3
• 氢受体数：
  4

安全信息

• 海关编码：
  2933599090
• WGK Germany：
  3
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  应存放在室温、干燥且密封的环境中。

反应信息

• 作为反应物：
  描述：

  5-(aminomethyl)-2-methylpyrimidin-4-amine dihydrochloride 在 水 、 氢溴酸 、 溶剂黄146 、 sodium nitrite 作用下， 生成 硫胺素
  参考文献：
  名称：

  Imai; Makino, Hoppe-Seyler's Zeitschrift fur Physiologische Chemie, 1938, vol. 252, p. 76,77

  摘要：

  DOI：
• 作为产物：
  描述：

  5-(2-hydroxy-ethyl)-4-methyl-3H-thiazol-2-one 、 N-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-N-(4-hydroxy-1-methyl-2-thiocyanato-but-1-en-t(?)-yl)-formamide 在 盐酸 作用下， 生成 3-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-3a-methyl-tetrahydro-furo[2,3-d]thiazol-2-ylideneamine 、 5-(aminomethyl)-2-methylpyrimidin-4-amine dihydrochloride
  参考文献：
  名称：

  Yonemoto, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1958, vol. 78, p. 472,478

  摘要：

  DOI：

文献信息

• [EN] 4 - (5 - ISOXAZOLYL OR 5 - PYRRAZOLYL -1,2,4- OXADIAZOL - 3 - YL) -MANDELIC ACID AMIDES AS SPHINGOSIN- 1 - PHOSPHATE 1 RRECEPTOR AGONISTS<br/>[FR] AMIDES D'ACIDE 4-(5-ISOXAZOLYL OU 5-PYRAZOLYL-1,2,4-OXADIAZOL-3-YL)-MANDÉLIQUE COMME AGONISTES DU RÉCEPTEUR DE LA SPHINGOSINE-1-PHOSPHATE DE TYPE 1
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2011133734A1

  公开（公告）日：2011-10-27

  Disclosed are compounds of Formula (I) or stereoisomers, salts, or prodrugs thereof, wherein: Q is, or R1 is phenyl substituted with zero to 3 substituents; and R1, R2, R3, R4, R5, and G are defined herein. Also disclosed are methods of using such compounds as selective agonists for G protein-coupled receptor S1P1, and pharmaceutical compositions comprising such compounds. These compounds are useful in treating, preventing, or slowing the progression of diseases or disorders in a variety of therapeutic areas, such as autoimmune diseases and vascular disease.

  揭示了Formula (I)的化合物或其立体异构体、盐或前药，其中：Q是，或者R1是苯基，其上取代基为零至3个；而R1、R2、R3、R4、R5和G在此处有定义。还揭示了将这些化合物用作G蛋白偶联受体S1P1的选择性激动剂的方法，以及包含这些化合物的药物组合物。这些化合物在治疗、预防或减缓多种治疗领域的疾病或紊乱方面具有用处，如自身免疫疾病和血管疾病。
• [EN] DIAMINOPTERIDINE DERIVATIVES<br/>[FR] DÉRIVÉS DE DIAMINOPTÉRIDINE
  申请人：BIORELIX INC

  公开号：WO2010110907A1

  公开（公告）日：2010-09-30

  The present invention relates novel diaminopteridine derivatives, their compositions and method of treatment comprising the same for use as anti-infectives.

  本发明涉及新型二氨基喹噁啉衍生物，其组成和治疗方法，包括将其用作抗感染剂。
• ON THE STRUCTURES OF DIHYDROTHIAMINES. II
  作者：TAIZO MATSUKAWA、HIROSHI HIRANO、TAKEO IWATSU、SHOJIRO YURUGI

  DOI：10.5925/jnsv1954.3.218

  日期：——

  From chemical examinations and infrared absorption spectral measurements for pseudo-dihydrothiamine and newly synthesized homologs, it is assumed that all of these compounds possess the skelton of pyrimido [4, 5-d] thiazolo [3, 4-a] pyrimidine.

  通过对假二氢噻胺和新合成的同系物进行化学检查和红外吸收光谱测量，可以推测所有这些化合物都具有嘧啶并[4，5-d]噻唑并[3，4-a]嘧啶的基团。
• Ovarian response to repeated controlled stimulation in in-vitro fertilization cycles in patients with ovarian endometriosis
  作者：Majedah Al-Azemi、Andrés López Bernal、Jo Steele、Isabelle Gramsbergen、David Barlow、Stephen Kennedy

  DOI：10.1093/humrep/15.1.72

  日期：2000.1

  In-vitro fertilization (IVF) is an effective infertility treatment for women with endometriosis, but most women need to undergo several cycles of treatment to become pregnant. This case-control study was designed to assess how consistently women with ovarian endometriosis respond to ovarian stimulation in consecutive treatment cycles compared to women with tubal infertility. We compared outcome measures in 40 women with a history of surgically confirmed ovarian endometriosis and 80 women with tubal infertility, all of whom had at least three IVF treatment cycles. The groups were matched for age and early follicular follicle stimulating hormone (FSH) concentration at their first IVF cycle. Outcome measures included number of follicles, number of oocytes, peak oestradiol concentration and number of FSH ampoules required per follicle. Cumulative pregnancy and live birth rates were calculated in both groups. The ovarian endometriosis group had a significantly poorer ovarian response and required significantly more ampoules of FSH per cycle, a difference that became greater with each subsequent cycle. However, cumulative pregnancy (63.3 versus 62.6% by fifth cycle) and live birth (46.8 versus 50.9% by fifth cycle) rates were similar in both groups. In conclusion, despite decreased ovarian response to FSH, ovarian endometriosis does not decrease the chances of successful IVF treatment.

  体外受精（IVF）是治疗子宫内膜异位症妇女不孕症的有效方法，但大多数妇女需要经过几个周期的治疗才能怀孕。这项病例对照研究旨在评估卵巢子宫内膜异位症妇女与输卵管性不孕妇女相比，在连续治疗周期中对卵巢刺激反应的一致性。我们比较了 40 名经手术确诊患有卵巢子宫内膜异位症的妇女和 80 名输卵管性不孕妇女的结果。两组患者的年龄和首次试管婴儿周期的早期卵泡刺激素（FSH）浓度相匹配。结果指标包括卵泡数、卵母细胞数、雌二醇峰值浓度和每个卵泡所需的促卵泡激素安瓿数。两组的累积妊娠率和活产率均已计算。卵巢子宫内膜异位症组的卵巢反应明显较差，每个周期所需的 FSH 安瓿数也明显较多，这种差异随着以后每个周期的增加而增大。不过，两组的累积妊娠率（第五个周期为 63.3% 对 62.6%）和活产率（第五个周期为 46.8% 对 50.9%）相似。总之，尽管卵巢对 FSH 的反应降低，但卵巢子宫内膜异位症并不会降低试管婴儿治疗的成功率。
• Andersag; Westphal, Chemische Berichte, 1937, vol. 70, p. 2035,2044
  作者：Andersag、Westphal

  DOI：——

  日期：——