N-{(S)-1-[(Formyl-hydroxy-amino)methyl]-2-phenyl-ethyl}carbamic acid tert-butyl ester | 457052-65-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-{(S)-1-[(Formyl-hydroxy-amino)methyl]-2-phenyl-ethyl}carbamic acid tert-butyl ester
• 英文别名: N-{(S)-1-[(formylhydroxyamino)methyl]-2-phenethyl}-carbamic acid tert-butyl ester；Tert-Butyl {(2s)-1-[formyl(Hydroxy)amino]-3-Phenylpropan-2-Yl}carbamate；tert-butyl N-[(2S)-1-[formyl(hydroxy)amino]-3-phenylpropan-2-yl]carbamate
• CAS: 457052-65-2
• 化学式: C₁₅H₂₂N₂O₄
• 分子量: 294.351
• InChiKey: WLOCWKYZMRXKHU-ZDUSSCGKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  78.9
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• PEPTIDE DEFORMYLASE INHIBITORS
  申请人：——

  公开号：US20040133001A1

  公开（公告）日：2004-07-08

  Novel PDF inhibitors and novel methods for their use are provided.

  提供了新型的PDF抑制剂和使用它们的新方法。
• Monomethylvaline Compounds Having Phenylalanine Carboxy Modifications at the C-Terminus
  申请人：Doronina Svetlana O.

  公开号：US20090111756A1

  公开（公告）日：2009-04-30

  Auristatin peptide analogs of MeVal-Val-Dil-Dap-Phe (MMAF) having a carboxylic acid equivalent at the C-terminal phenylalanine were prepared and attached to ligands through various linkers, including maleimidocaproyl-val-cit-PAB. The resulting ligand drug conjugates were active in vitro and in vivo.

  具有C-末端苯丙氨酸羧基酸等效物的MeVal-Val-Dil-Dap-Phe（MMAF）的Auristatin肽类类似物已经制备，并通过各种连接剂（包括maleimidocaproyl-val-cit-PAB）连接到配体上。 结果得到的配体药物结合物在体外和体内均具有活性。
• METHODS OF USING MONOMETHYLVALINE COMPOSITIONS HAVING PHENYLALANINE CARBOXY MODIFICATIONS AT THE C-TERMINUS
  申请人：Seattle Genetics, Inc.

  公开号：US20150044238A1

  公开（公告）日：2015-02-12

  Auristatin peptide analogs of MeVal-Val-Dil-Dap-Phe (MMAF) having a carboxylic acid equivalent at the C-terminal phenylalanine were prepared and attached to ligands through various linkers, including maleimidocaproyl-val-cit-PAB. The resulting ligand-drug conjugates were active in vitro and in vivo in inhibiting cell proliferation and are represented by the general structure of L v -[(LU) 0-1 -(D) 1-4 ] p wherein L- is Ligand unit; LU is a Linker unit (LU); v is 1; p is an number ranging from about 1 to about 20; and D is a drug moiety having the formula: wherein the moiety —N(R 9 )Z 1 is a phenylalanine bioisostere, wherein Z 1 is —CH(R 10 )Z 2 so that the phenylalanine bioisostere has the structure of Formula A: and wherein the substituents R 2 -R 10 , X 1 and Z 2 are as defined.

  制备了具有C端苯丙氨酸羧酸等效物的MeVal-Val-Dil-Dap-Phe（MMAF）的Auristatin肽类类似物，并通过各种连接剂将其连接到配体上，包括maleimidocaproyl-val-cit-PAB。所得的配体-药物偶联物在体外和体内抑制细胞增殖方面具有活性，并由以下一般结构表示：Lv-[(LU)0-1-(D)1-4]p，其中L-是配体单元；LU是连接单元（LU）；v为1；p为约1至约20的数字；D是具有以下公式的药物基团：其中，—N（R9）Z1基团是苯丙氨酸生物同构体，其中Z1是—CH（R10）Z2，以便苯丙氨酸生物同构体具有A式结构；其中取代基R2-R10、X1和Z2如定义。
• EP1363612A4
  申请人：——

  公开号：EP1363612A4

  公开（公告）日：2006-01-18
• US6797730B2
  申请人：——

  公开号：US6797730B2

  公开（公告）日：2004-09-28