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magnesium;(2S)-2-aminobutanedioate;hydron | 18962-61-3

中文名称
——
中文别名
——
英文名称
magnesium;(2S)-2-aminobutanedioate;hydron
英文别名
L-Aspartic acid, magnesium salt (2:1);magnesium;(2S)-2-aminobutanedioate;(2S)-2-aminobutanedioic acid
magnesium;(2S)-2-aminobutanedioate;hydron化学式
CAS
18962-61-3
化学式
C8H12MgN2O8
mdl
——
分子量
288.49
InChiKey
RXMQCXCANMAVIO-CEOVSRFSSA-L
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:
    >235 (dec.)
  • 溶解度:
    酸水溶液(微溶、加热、超声处理)、水(微溶、超声处理)
  • LogP:
    -0.669 (est)

计算性质

  • 辛醇/水分配系数(LogP):
    -7.75
  • 重原子数:
    19
  • 可旋转键数:
    2
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    0.5
  • 拓扑面积:
    213
  • 氢给体数:
    4
  • 氢受体数:
    10

ADMET

毒理性
  • 在妊娠和哺乳期间的影响
◉ 母乳喂养期间使用总结:目前没有关于在母乳喂养期间服用镁醋酸镁后镁的排泄情况的信息。然而,已经对其他镁盐进行了研究。静脉注射硫酸镁仅略微增加了乳汁中镁的浓度。婴儿对镁的口服吸收不良,因此母亲服用的镁醋酸镁不太可能影响母乳喂养婴儿的血清镁。在怀孕期间补充镁醋酸镁可能会延迟哺乳的开始,但在母乳喂养期间可以服用,不需要特别的预防措施。 ◉ 对母乳喂养婴儿的影响:50位处于产后的第一天母亲接受了15毫升的矿物油或矿物油和另一种镁盐的乳液,即相当于900毫克氢氧化镁的氢氧化镁,尽管没有说明确切的接受每种产品的人数。如果需要,在随后的几天里可以给予额外的剂量。没有注意到接受母乳喂养的婴儿有任何明显异常的大便,但所有婴儿也接受了补充喂养。 ◉ 对哺乳和母乳的影响:一位因妊娠期高血压接受3天静脉注射硫酸镁的母亲,哺乳II期延迟到产后第10天。没有找到延迟的其他具体原因,尽管没有进行完整的检查。随后的对照临床试验发现,接受静脉注射硫酸镁治疗的母亲没有延迟哺乳的证据。一些,但不是所有的研究发现,接受静脉注射硫酸镁治疗的母亲所生的婴儿首次喂养时间延长或吸吮减少的趋势,因为镁通过胎盘传递给胎儿。 在一项对40对健康女性进行的研究中,这些女性通过阴道分娩单胎妊娠,比较了在分娩前至少4周接受连续口服镁醋酸镁HCl补充剂(平均剂量为459毫克/天,范围365至729毫克/天镁)的组与对照组的结果终点。在镁组中,能够在出院时仅通过母乳喂养婴儿的女性显著较少(63%对80%)。
◉ Summary of Use during Lactation:No information is available on the excretion of magnesium following magnesium aspartate during breastfeeding. However, other magnesium salts have been studied. Intravenous magnesium sulfate increases milk magnesium concentrations only slightly. Oral absorption of magnesium by the infant is poor, so maternal magnesium aspartate is not expected to affect the breastfed infant's serum magnesium. Magnesium aspartate supplementation during pregnancy might delay the onset of lactation, but it can be taken during breastfeeding and no special precautions are required. ◉ Effects in Breastfed Infants:Fifty mothers who were in the first day postpartum received 15 mL of either mineral oil or an emulsion of mineral oil and another magnesium salt, magnesium hydroxide equivalent to 900 mg of magnesium hydroxide, although the exact number who received each product was not stated. Additional doses were given on subsequent days if needed. None of the breastfed infants were noted to have any markedly abnormal stools, but all of the infants also received supplemental feedings. ◉ Effects on Lactation and Breastmilk:One mother who received intravenous magnesium sulfate for 3 days for pregnancy-induced hypertension had lactogenesis II delayed until day 10 postpartum. No other specific cause was found for the delay, although a complete work-up was not done. A subsequent controlled clinical trial found no evidence of delayed lactation in mothers who received intravenous magnesium sulfate therapy. Some, but not all, studies have found a trend toward increased time to the first feeding or decreased sucking in infants of mothers treated with intravenous magnesium sulfate during labor because of placental transfer of magnesium to the fetus. A study in 40 pairs of matched healthy women with vaginally delivered singleton pregnancies, outcome endpoints were compared in those receiving continuous oral magnesium aspartate HCl supplementation mean dose of 459 mg daily (range 365 to 729 mg of magnesium daily) for at least 4 weeks before delivery versus non-supplemented controls. In the magnesium group, significantly fewer women could breastfeed their infants exclusively at discharge (63% vs 80%).
来源:Drugs and Lactation Database (LactMed)
毒理性
  • 在妊娠和哺乳期间的影响
哺乳期使用的总结:目前还没有关于哺乳期间服用镁酒石酸镁后镁的排泄情况的信息。然而,已经对其他镁盐进行了研究。静脉注射硫酸镁仅略微增加了乳汁中的镁浓度。婴儿对镁的口服吸收不良,因此母亲服用的镁酒石酸镁不太可能影响哺乳婴儿的血清镁。怀孕期间补充镁酒石酸镁可能会延迟哺乳的开始,但在哺乳期间可以服用,不需要特别的预防措施。 对哺乳婴儿的影响:50位产后第一天的母亲接受了15毫升的矿物油或含有另一种镁盐——氢氧化镁的矿物油乳液,相当于900毫克氢氧化镁,尽管没有说明具体有多少人接受了每种产品。如果需要,随后的几天可以给予额外的剂量。所有哺乳的婴儿都没有出现明显异常的大便,但所有婴儿也接受了补充喂养。 对哺乳和母乳的影响:一位因妊娠高血压接受三天静脉注射硫酸镁的母亲,哺乳II期延迟到产后第10天。没有找到延迟的其他具体原因,尽管没有进行完整的检查。随后的对照临床试验发现,接受静脉注射硫酸镁治疗的母亲没有延迟哺乳的证据。一些但不是所有的研究发现,由于镁通过胎盘转移到胎儿,接受分娩时静脉注射硫酸镁的母亲的孩子出现第一次喂养时间延长或吸吮减少的趋势。 在一项对40对匹配的健康女性进行研究,这些女性通过阴道分娩单胎妊娠,比较了那些在分娩前至少4周每天持续口服镁酒石酸镁HCl补充剂(平均剂量为459毫克,每日范围365至729毫克镁)的组与未补充的对照组的结局终点。在镁组中,能够在出院时仅通过母乳喂养婴儿的女性显著较少(63%对80%)。
◉ Summary of Use during Lactation:No information is available on the excretion of magnesium following magnesium aspartate during breastfeeding. However, other magnesium salts have been studied. Intravenous magnesium sulfate increases milk magnesium concentrations only slightly. Oral absorption of magnesium by the infant is poor, so maternal magnesium aspartate is not expected to affect the breastfed infant's serum magnesium. Magnesium aspartate supplementation during pregnancy might delay the onset of lactation, but it can be taken during breastfeeding and no special precautions are required. ◉ Effects in Breastfed Infants:Fifty mothers who were in the first day postpartum received 15 mL of either mineral oil or an emulsion of mineral oil and another magnesium salt, magnesium hydroxide equivalent to 900 mg of magnesium hydroxide, although the exact number who received each product was not stated. Additional doses were given on subsequent days if needed. None of the breastfed infants were noted to have any markedly abnormal stools, but all of the infants also received supplemental feedings. ◉ Effects on Lactation and Breastmilk:One mother who received intravenous magnesium sulfate for 3 days for pregnancy-induced hypertension had lactogenesis II delayed until day 10 postpartum. No other specific cause was found for the delay, although a complete work-up was not done. A subsequent controlled clinical trial found no evidence of delayed lactation in mothers who received intravenous magnesium sulfate therapy. Some, but not all, studies have found a trend toward increased time to the first feeding or decreased sucking in infants of mothers treated with intravenous magnesium sulfate during labor because of placental transfer of magnesium to the fetus. A study in 40 pairs of matched healthy women with vaginally delivered singleton pregnancies, outcome endpoints were compared in those receiving continuous oral magnesium aspartate HCl supplementation mean dose of 459 mg daily (range 365 to 729 mg of magnesium daily) for at least 4 weeks before delivery versus non-supplemented controls. In the magnesium group, significantly fewer women could breastfeed their infants exclusively at discharge (63% vs 80%).
来源:Drugs and Lactation Database (LactMed)

安全信息

  • 安全说明:
    S22,S24/25
  • WGK Germany:
    2
  • 危险品标志:
    Xn
  • 危险类别码:
    R20/21/22

SDS

SDS:05c41614637190587f90621aaaf3a589
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反应信息

  • 作为反应物:
    描述:
    magnesium;(2S)-2-aminobutanedioate;hydron溶剂黄146 作用下, 以 1,4-二氧六环 为溶剂, 以70%的产率得到benzyl 4-O-benzyl-α-L-rhamnopyranoside
    参考文献:
    名称:
    从萌发的水芹种子的粘液中合成高效的化感物质鳞翅类化合物的合成和绝对构型
    摘要:
    由D-葡萄糖和α-L-鼠李糖合成了1,2-顺式联结的双糖莱皮莫胺(1),用于确定绝对构型。
    DOI:
    10.1016/s0040-4039(00)77648-9
  • 作为产物:
    描述:
    参考文献:
    名称:
    从萌发的水芹种子的粘液中合成高效的化感物质鳞翅类化合物的合成和绝对构型
    摘要:
    由D-葡萄糖和α-L-鼠李糖合成了1,2-顺式联结的双糖莱皮莫胺(1),用于确定绝对构型。
    DOI:
    10.1016/s0040-4039(00)77648-9
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文献信息

  • Vitamin D derivative having substituent at 2beta-position
    申请人:CHUGAI SEIYAKU KABUSHIKI KAISHA
    公开号:US20020045772A1
    公开(公告)日:2002-04-18
    A steroid intermediate has the formula (II): 1 wherein A denotes alkylene of 2 to 10 carbons; X denotes halogen; R a , R b and R c denote, independently hydrogen or hydroxyl protecting group; and R p , R q , R y and R z are such that R p and R q together form a double bond between the 5-position and the 6-position and R y and R z together form a double bond between the 7-position and the 8-position, or R q and R y together form a double bond between the 6-position and the 7-position and R p and R z are bound to a dienophile capable of protecting conjugated double bonds.
    一种甾体中间体具有公式(II):1,其中A代表2至10个碳原子的烷基;X代表卤素;Ra、Rb和Rc分别独立表示氢或羟基保护基团;而Rp、Rq、Ry和Rz是这样的,即Rp和Rq共同在5位和6位之间形成一个双键,Ry和Rz共同在7位和8位之间形成一个双键,或者Rq和Ry共同在6位和7位之间形成一个双键,而Rp和Rz则与能保护共轭双键的二烯烃基团结合。
  • Synthesis and hydrogenolysis of the methylene, ethylidene, isopropylidene, and diastereoisomeric 1-phenylethylidene acetals of β-l-arabino- and α-l-rhamnopyranoside derivatives
    作者:András Lipták、Zoltán Szurmai、V.Anna Oláh、János Harangi、Lajos Szabó、Pál Nánási
    DOI:10.1016/0008-6215(85)85218-6
    日期:1985.4
    diastereoisomers of 1-phenylethylidene acetals (acetophenone acetals) of methyl and benzyl β- l -arabinopyranoside and α- l -rhamnopyranoside were prepared. Acetal-exchange reactions gave only the endo -phenyl isomers; their 2- O - and 4- O -acetyl derivatives were isomerised into the exo -phenyl compounds. 1 H-N.m.r. data were used to determine the absolute configuration at the acetal carbon atom in these compounds
    摘要分别制备了甲基和苄基β-1-L-阿拉伯吡喃糖苷和α-1-R-鼠李糖吡喃糖苷的1-苯基亚乙基缩醛(苯乙酮缩醛)的非对映异构体。缩醛交换反应仅产生内-苯基异构体。它们的2-O-和4-O-乙酰基衍生物被异构化为外苯基化合物。1 HN.mr数据用于确定这些化合物中乙缩醛碳原子的绝对构型。与内苯基异构体相比,外苯基异构体的甲基质子在较低的场共振。各种亚甲基,亚乙基和异亚丙基衍生物的氢解反应得到轴向醚。苯乙酮衍生物的内-苯基异构体还产生了两种非对映异构形式的轴向1-苯基乙基醚。
  • [EN] CATIONIC COMPOUNDS AND THEIR USE AS ANTIMYCOTIC AND ANTIMICROBIAL AGENTS<br/>[FR] COMPOSÉS CATIONIQUES ET LEUR UTILISATION COMME AGENTS ANTIMYCOTIQUES ET ANTIMICROBIENS
    申请人:CHIROBLOCK GMBH
    公开号:WO2017032509A1
    公开(公告)日:2017-03-02
    The invention relates to cationic compounds and their use as antimicrobial and antimycotic agents, in particular as disinfectants and preservatives in ophthalmic preparations.
    这项发明涉及阳离子化合物及其作为抗菌和抗真菌剂的用途,特别是作为眼科制剂中的消毒剂和防腐剂。
  • [EN] COMPOUNDS USEFUL FOR THE TREATMENT AND/OR CARE OF THE SKIN, HAIR, NAILS AND/OR MUCOUS MEMBRANES<br/>[FR] COMPOSÉS UTILES DANS LE TRAITEMENT ET/OU LES SOINS DE LA PEAU, DES CHEVEUX, DES ONGLES ET/OU DES MUQUEUSES
    申请人:LUBRIZOL ADVANCED MAT INC
    公开号:WO2019008452A1
    公开(公告)日:2019-01-10
    A compound of formula (I) R1-Wm-Xn-AA1-AA2-AA3-AA4-AA5-AA6-AA7-AA8-AA9-Yp-Zq-R2 wherein AA1 is Phe; AA2 is Trp; AA3 is selected from the group consisting of Met, Leu and lie; AA4 is selected from the group consisting of Lys, Arg and Gin; AA5 is Arg; AA6 is Lys; AA7 is selected from the group consisting of Arg, Lys and His; AA8 is selected from the group consisting of Val, lie, Leu and Met; and AA9 is Pro, useful in the treatment and/or care of the skin, hair, nails and/or mucous membranes, in particular for improving the barrier function of the skin, for energising the skin and as an anti- aging agent.
    一种具有以下结构的化合物(I)R1-Wm-Xn-AA1-AA2-AA3-AA4-AA5-AA6-AA7-AA8-AA9-Yp-Zq-R2,其中AA1为Phe;AA2为Trp;AA3选自Met、Leu和Ile组成的群体;AA4选自Lys、Arg和Gln组成的群体;AA5为Arg;AA6为Lys;AA7选自Arg、Lys和His组成的群体;AA8选自Val、Ile、Leu和Met组成的群体;AA9为Pro。该化合物在治疗和/或护理皮肤、头发、指甲和/或粘膜方面具有用途,特别用于改善皮肤的屏障功能,激活皮肤并作为抗衰老剂。
  • BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF
    申请人:SENOMYX, INC.
    公开号:US20160376263A1
    公开(公告)日:2016-12-29
    The present invention includes compounds and compositions known to modify the perception of bitter taste, and combinations of said compositions and compounds with additional compositions, compounds, and products. Exemplary compositions comprise one or more of the following: cooling agents; inactive drug ingredients; active pharmaceutical ingredients; food additives or foodstuffs; flavorants, or flavor enhancers; food or beverage products; bitter compounds; sweeteners; bitterants; sour flavorants; salty flavorants; umami flavorants; plant or animal products; compounds known to be used in pet care products; compounds known to be used in personal care products; compounds known to be used in home products; pharmaceutical preparations; topical preparations; cannabis-derived or cannabis-related products; compounds known to be used in oral care products; beverages; scents, perfumes, or odorants; compounds known to be used in consumer products; silicone compounds; abrasives; surfactants; warming agents; smoking articles; fats, oils, or emulsions; and/or probiotic bacteria or supplements.
    本发明涵盖已知用于改变苦味感知的化合物和组合物,以及所述组合物和化合物与额外的组合物、化合物和产品的组合。示例组合物包括以下一种或多种:冷却剂;无活性药物成分;活性药用成分;食品添加剂或食品;调味剂或调味增强剂;食品或饮料产品;苦味化合物;甜味剂;苦味剂;酸味调味剂;咸味调味剂;鲜味调味剂;植物或动物产品;已知用于宠物护理产品中的化合物;已知用于个人护理产品中的化合物;已知用于家用产品中的化合物;制药制剂;局部制剂;大麻衍生或与大麻相关的产品;已知用于口腔护理产品中的化合物;饮料;香味、香水或除臭剂;已知用于消费品中的化合物;硅化合物;磨料;表面活性剂;发热剂;吸烟物品;脂肪、油脂或乳化剂;和/或益生菌或补充剂。
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