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Calcium 2-hydroxy-4-(methylthio)butano

中文名称
——
中文别名
——
英文名称
Calcium 2-hydroxy-4-(methylthio)butano
英文别名
calcium;2-hydroxy-4-methylsulfanylbutanoate
Calcium 2-hydroxy-4-(methylthio)butano化学式
CAS
——
化学式
C10H18CaO6S2
mdl
——
分子量
338.5
InChiKey
ABRVDWASZFDIEH-UHFFFAOYSA-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

计算性质

  • 辛醇/水分配系数(LogP):
    -2.68
  • 重原子数:
    19
  • 可旋转键数:
    6
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    0.8
  • 拓扑面积:
    171
  • 氢给体数:
    2
  • 氢受体数:
    8

反应信息

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文献信息

  • 2-METHYLTHIOETHYL-SUBSTITUTED HETEROCYCLES AS FEED ADDITIVES
    申请人:Kobler Christoph
    公开号:US20090162474A1
    公开(公告)日:2009-06-25
    A chemical compound of the general formula I or II is useful as feed additive: wherein X=O or NR, and R=H, C 1 -C 6 -alkyl (optionally branched), C 3 -C 6 -cycloalkyl, aryl, or aralkyl, and wherein R 1 , R 2 , are identical or different and in each case H, C 1 -C 6 -alkyl (optionally branched), C 3 -C 6 -cycloalkyl, allyl, aryl, or aralkyl; or R 1 and R 2 together are an C 2 - to C 6 -alkylene group (optionally C 1 -C 6 -alkyl substituted).
    通用公式 I 或 II 的化合物作为饲料添加剂是有用的:其中 X=O 或 NR,R=H、C1-C6-烷基(可选支链)、C3-C6-环烷基、芳基或芳基烷基,R1、R2 相同或不同,在每种情况下为 H、C1-C6-烷基(可选支链)、C3-C6-环烷基、烯丙基、芳基或芳基烷基;或者 R1 和 R2 一起是 C2 到 C6 烷基烯基(可选 C1-C6 烷基取代)。
  • Process for optically active 3-(methane-sulfonyloxy) thiolane and analogs
    申请人:Pfizer Inc.
    公开号:US04954647A1
    公开(公告)日:1990-09-04
    Intermediates and a stepwise process for the conversion of D-methionine or certain of its derivatives to optically active compounds of the formula ##STR1## wherein R is (C.sub.1 -C.sub.3)alkyl, phenyl or tolyl. The latter compounds are in turn useful as an intermediate in the preparation of penem antibiotic 5R,6S-6-(1R-hydroxyethyl)-2-(1R-oxo-3S-thiolanylthio)-2-penem-3-carboxylic acid and corresponding pharmaceutically acceptable salts and esters.
    将D-蛋氨酸或其某些衍生物转化为光学活性化合物的中间体和逐步过程,其中化合物的化学式为##STR1## 其中R为(C.sub.1-C.sub.3)烷基,苯基或甲苯基。这些化合物反过来又可用作制备青霉烷类抗生素5R,6S-6-(1R-羟乙基)-2-(1R-氧代-3S-硫代基硫基)-2-青霉烷-3-羧酸及相应的药用盐和酯的中间体。
  • Nonionic X-ray contrast agents, compositions and methods
    申请人:Mallinckrodt, Inc.
    公开号:US05075502A1
    公开(公告)日:1991-12-24
    Triiodinated isophthalamide derivatives, useful as X-ray contrast agents, having at least one amide group derived from the amino-alcohol, 3-(N-2-hydroxyethyl)amino-1,2-propanediol, which provides high water solubility and low mammalian toxicity, and methods of preparing them. Methods of preparing 3-(N-2-hydroxyethyl)amino-1,2-propanediol are provided.
    三碘异苯二酰胺衍生物,可作为X射线造影剂,至少具有一个酰胺基团,该基团来源于氨基醇3-(N-2-羟乙基)氨基-1,2-丙二醇,该基团提供高水溶性和低哺乳动物毒性,并提供其制备方法。还提供了制备3-(N-2-羟乙基)氨基-1,2-丙二醇的方法。
  • Process for optically active 3-(methane-sulfonyloxy)thiolane and analogs
    申请人:Pfizer Inc.
    公开号:US04874877A1
    公开(公告)日:1989-10-17
    Intermediates and a stepwise process for the conversion of D-methionine or certain of its derivatives to optically active compounds of the formula ##STR1## wherein R is (C.sub.1 -C.sub.3) alkyl, phenyl or tolyl. The latter compounds are in turn useful as an intermediate in the preparation of penem antibiotic 5R,6S-6-(1R-hydroxyethyl)-2-(1R-oxo-3S-thiolanylthio)-2-penem-3-carboxylic acid and corresponding pharmaceutically acceptable salts and esters.
    将D-蛋氨酸或其某些衍生物转化为式子##STR1##中的光学活性化合物的中间体和逐步过程,其中R为(C.sub.1-C.sub.3)烷基,苯基或甲苯基。后者化合物在制备青霉烷类抗生素5R,6S-6-(1R-羟乙基)-2-(1R-氧代-3S-硫代基硫基)-2-青霉烷-3-羧酸及其相应的药用盐和酯的中间体中也有用。
  • Inhibitors of protein isoprenyl transferases
    申请人:University of Pittsburgh
    公开号:US06310095B1
    公开(公告)日:2001-10-30
    Compounds having the formula or a pharmaceutically acceptable salt thereof wherein R1 is (a) hydrogen, (b) loweralkyl, (c) alkenyl, (d) alkoxy, (e) thioalkoxy, (f) halo, (g) haloalkyl, (h) aryl-L2—, and (i) heterocyclic-L2—; R2 is selected from (a) (b) —C(O)NH—CH(R14)—C(O)OR15, (d) —C(O)NH—CH(R14)—C(O)NHSO2R16, (e) —C(O)NH—CH(R14)-tetrazolyl, (f) —C(O)NH-heterocyclic, and (g) —C(O)NH—CH(R14)—C(O)NR17R18; R3 is substituted or unsubstituted heterocyclic or aryl, substituted or unsubstituted cycloalkyl or cycloalkenyl, and —P(W)RR3RR3′; R4 is hydrogen, lower alkyl, haloalkyl, halogen, aryl, arylakyl, heterocyclic, or (heterocyclic)alkyl; L1 is absent or is selected from (a) —L4—N(R5)—L5—, (b) —L4—O—L5—, (c) —L4—S(O)n—L5— (d) —L4—L6—C(W)—N(R5)—L5—, (e) —L4—L6—S(O)m—N(R5)—L5 —, (f) —L4—N(R5)—C(W)—L7—L5—, (g) —L4—N(R5)—S(O)p—L7—L5—, (h) optionally substituted alkylene, (i) optionally substituted alkenylene, (j) optionally substituted alkynylene (k) a covalent bond, (l) and (m) are inhibitors of protein isoprenyl transferases. Also disclosed are protein isoprenyl transferase inhibiting compositions and a method of inhibiting protein isoprenyl transferases.
    具有以下化学式或其药学上可接受的盐,其中R1为(a)氢,(b)低碳基,(c)烯基,(d)烷氧基,(e)硫代烷氧基,(f)卤素,(g)卤代烷基,(h)芳基-L2-,以及(i)杂环-L2-;R2选自(a)、(b)、—C(O)NH—CH(R14)—C(O)OR15、(d)、—C(O)NH—CH(R14)—C(O)NHSO2R16、(e)、—C(O)NH—CH(R14)-四唑基、(f)、—C(O)NH-杂环,以及(g)、—C(O)NH—CH(R14)—C(O)NR17R18;R3是取代或未取代的杂环或芳基,取代或未取代的环烷基或环烯基,以及—P(W)RR3RR3′;R4为氢、低碳基、卤代烷基、卤素、芳基、芳基烷基、杂环或(杂环)烷基;L1不存在或选自(a)、—L4—N(R5)—L5—、(b)、—L4—O—L5—、(c)、—L4—S(O)n—L5—、(d)、—L4—L6—C(W)—N(R5)—L5—、(e)、—L4—L6—S(O)m—N(R5)—L5—、(f)、—L4—N(R5)—C(W)—L7—L5—、(g)、—L4—N(R5)—S(O)p—L7—L5—、(h)、可选取代的烷基、(i)、可选取代的烯基、(j)、可选取代的炔基、(k)、共价键、(l)和(m)是蛋白异戊烯基转移酶的抑制剂。还公开了蛋白异戊烯基转移酶抑制剂组合物和一种抑制蛋白异戊烯基转移酶的方法。
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表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
hnmr
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cnmr
ir
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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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