5-O-[6-(benzoylamino)hexyl]-myo-inositol | 861893-29-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-O-[6-(benzoylamino)hexyl]-myo-inositol
• CAS: 861893-29-0
• 化学式: C₁₉H₂₉NO₇
• 分子量: 383.442
• InChiKey: PZVOSMIBGDKFFB-FLHHHQDGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.82
• 重原子数：
  27.0
• 可旋转键数：
  9.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  139.48
• 氢给体数：
  6.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  5-O-[6-(benzoylamino)hexyl]-myo-inositol 、 3-(二乙氨基)-1,5-二氢-2,4,3-苯并二噁磷杂庚英 在 四氮唑 作用下， 以 乙腈 为溶剂， 反应 24.0h， 生成 N-{6-[(1S,2R,3S,4S,5R,6S)-2,3,4,5,6-Pentakis-(1,5-dihydro-benzo[e][1,3,2]dioxaphosphepin-3-yloxy)-cyclohexyloxy]-hexyl}-benzamide
  参考文献：
  名称：

  Tethered phytic acid as a probe for measuring phytase activity

  摘要：

  A novel approach for measuring phytase activity is presented. We have developed a new chromophoric substrate analog of phytic acid, 5-O-[6-(benzoylamino)hexyl]-D-myo-inositol-1,2,3,4,6-pentakisphosphate that permits direct measurement of the phosphate ester bond-cleavage reaction using HPLC. This compound, along with its dephosphorylated T-phosphatidylinositol intermediates, are quantified using reversed phase chromatography with UV detection. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.04.009
• 作为产物：
  描述：

  6-azidohexyl methanesulfonate 在 palladium on activated charcoal 氢气 、 sodium hydride 、 溶剂黄146 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 20.0~100.0 ℃ 、344.74 kPa 条件下， 反应 41.75h， 生成 5-O-[6-(benzoylamino)hexyl]-myo-inositol
  参考文献：
  名称：

  Tethered phytic acid as a probe for measuring phytase activity

  摘要：

  A novel approach for measuring phytase activity is presented. We have developed a new chromophoric substrate analog of phytic acid, 5-O-[6-(benzoylamino)hexyl]-D-myo-inositol-1,2,3,4,6-pentakisphosphate that permits direct measurement of the phosphate ester bond-cleavage reaction using HPLC. This compound, along with its dephosphorylated T-phosphatidylinositol intermediates, are quantified using reversed phase chromatography with UV detection. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.04.009

文献信息

• Probe for measuring phytase activity
  申请人：Berry David A.

  公开号：US20080132713A1

  公开（公告）日：2008-06-05

  A myo-inositol derivative: R 1 , R 2 , R 3 and R 4 are identical, being selected from PO 3 H 2 , PO 3 Na 2 , PO 3 K 2 , PO 3 Li 2 , PO 3 Ca, PO 3 Mg, PO 3 (NH 4 ) 2 , PO 3 (RNH 3 ) 2 , PO 3 (R 2 NH 2 ) 2 , PO 3 (R 4 N) 2 , PO(OR) 2 , H, COZ and BHPP, where R is benzyl or alkyl of 1 to 6 carbon atoms and Z is an alkyl or arylalky group providing a cleavable protecting group; R 5 is one of H, benzyl, 4-methoxybenzyl, COZ, PO 3 H 2 , PO 3 Na 2 , PO 3 K 2 , PO 3 Li 2 , PO 3 Ca, PO 3 Mg, PO 3 (NH 4 ) 2 , PO 3 (RNH 3 ) 2 , PO 3 (R 2 NH 2 ) 2 , PO 3 (R 4 N) 2 , PO(OR) 2 , and BHPP, where R is benzyl or alkyl of 1 to 6 carbon atoms and Z is an alkyl or arylalky group providing a cleavable protecting group; X is one of CH 2 , CH 2 CH 2 O, and CH 2 CH 2 CH 2 O; n is an integer from 1 to 8; L 1 is a single bond or CH 2 ; L 2 is one of a single bond, CONH, CH 2 CONH, CH 2 CH 2 CONH, CH 2 CH 2 NHCO, CH 2 CH 2 NHCONH, CH 2 CH 2 NHCSNH, CH 2 CH 2 NHSO 2 , CH 2 CH 2 CH 2 NHCO, CH 2 CH 2 CH 2 NHCONH, CH 2 CH 2 CH 2 NHCSNH, CH 2 CH 2 CH 2 NHSO 2 , NHCO, NHCONH, NHCSNH, OCONH, CH 2 , CH 2 CH 2 , CH 2 CH 2 O, CH 2 CH 2 S, CH 2 CH 2 NH, CH 2 CH 2 CH 2 , CH 2 CH 2 CH 2 O, CH 2 CH 2 CH 2 S, CH 2 CH 2 CH 2 NH, and NH—SO 2 ; and R 6 is a UV-visible chromophore, a UV-chromophore, a fluorescent moiety, or a radiolabeled moiety.
• TRIPHENYL MONOMERS SUITABLE FOR MICROSTRUCTURED OPTICAL FILMS
  申请人：Hunt Bryan V.

  公开号：US20100048802A1

  公开（公告）日：2010-02-25

  A myo-inositol derivative: R 1 , R 2 , R 3 and R 4 are identical, being selected from PO 3 H 2 , PO 3 Na 2 , PO 3 K 2 , PO 3 Li 2 , PO 3 Ca, PO 3 Mg, PO 3 (NH 4 ), PO 3 (RNH 3 ) 2 , PO 3 (R 2 NH 2 ) 2 , PO 3 (R 4 N) 2 , PO(OR) 2 , H, COZ and BHPP, where R is benzyl or alkyl of 1 to 6 carbon atoms and Z is an alkyl or arylalky group providing a cleavable protecting group; R 5 of H, benzyl, 4-methoxybenzyl, COZ, PO 3 H 2 , PO 3 Na 2 , PO 3 K 2 , PO 3 Li 2 , PO3Ca, PO 3 Mg, PO 3 (NH 4 ) 2 , PO 3 (RNH 3 ) 2 , PO 3 (R 2 NH 2 ) 2 , PO 3 (R 4 N) 2 , PO(OR) 2 , and BHPP, where R is benzyl or alkyl of 1 to 6 carbon atoms and Z is an alkyl or arylalky group providing a cleavable protecting group; X is one of CH 2 , CH 2 CH 2 O, and CH 2 CH 2 CH 2 O; n is an integer from 1 to 8; L1 is a single bond or CH 2 ; L 2 is one of a single bond, CONH, CH 2 CONH, CH 2 CH 2 CONH, CH 2 CH 2 NHCO, CH 2 CH 2 NHCONH, CH 2 CH 2 NHCSNH, CH 2 CH 2 NHSO 2 , CH 2 CH 2 CH 2 NHCO, CH 2 CH 2 CH 2 NHCONH, CH 2 CH 2 CH 2 NHCSNH, CH 2 CH 2 CH 2 NHSO 2 , NHCO, NHCONH, NHCSNH, OCONH, CH 2 , CH 2 CH 2 , CH 2 CH 2 O, CH 2 CH 2 S, CH 2 CH 2 NH, CH 2 CH 2 CH2, CH 2 CH 2 CH 2 O, CH 2 CH 2 CH 2 S, CH 2 CH 2 CH 2 NH, and NH—SO 2 ; and R 6 is a UV-visible chromophore, a UV-chromophore, a fluorescent moiety, or a radiolabeled moiety.
• US7741506B2
  申请人：——

  公开号：US7741506B2

  公开（公告）日：2010-06-22