N1-[t-Boc(3-aminopropyl)]-1,4-diaminobutane | 133264-68-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N1-[t-Boc(3-aminopropyl)]-1,4-diaminobutane
• 英文别名: N-(tert-butoxycarbonyl)-spermidine；Tert-butyl N-(3-[(4-aminobutyl)amino]propyl)carbamate；tert-butyl N-[3-(4-aminobutylamino)propyl]carbamate
• CAS: 133264-68-3
• 化学式: C₁₂H₂₇N₃O₂
• 分子量: 245.365
• InChiKey: GCXNYYJMHBVSHD-UHFFFAOYSA-N

物化性质

• 沸点：
  377.1±27.0 °C(Predicted)
• 密度：
  0.975±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  17
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  76.4
• 氢给体数：
  3
• 氢受体数：
  4

安全信息

• 储存条件：
  存储温度应保持在2-8°C，并请避免光线直射。

反应信息

• 作为反应物：
  描述：

  N1-[t-Boc(3-aminopropyl)]-1,4-diaminobutane 在 盐酸 、 N,N'-二环己基碳二亚胺 、 三氟乙酸 作用下， 以 四氢呋喃 、 氯仿 为溶剂， 生成 (E)-N-(3-Amino-propyl)-3-(4-hydroxy-phenyl)-N-{4-[(E)-3-(4-hydroxy-phenyl)-acryloylamino]-butyl}-acrylamide; hydrochloride
  参考文献：
  名称：

  Synthese derp-Cumaroylspermidine

  摘要：

  The Synthesis of p‐CumaroylspermidinesThe synthesis of three mono[(E)‐3‐(4‐hydroxyphenyl)prop‐2‐enoyl]spermidines, 10, 20, and 28, three bis[(E)‐3‐(4‐hydroxyphenyl)prop‐2‐enoyl]spermidines, 6, 16, and 25, and one tris[(E)‐3‐(4‐hydroxyphenyl)prop‐2‐enoyl]‐spermidine is described.

  DOI：

  10.1002/hlca.19960790222
• 作为产物：
  描述：

  N-叔丁氧羰基-1,3-丙二胺 在 镍 potassium fluoride 、 sodium hydroxide 、 Celite 、 氢气 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 24.0h， 生成 N1-[t-Boc(3-aminopropyl)]-1,4-diaminobutane
  参考文献：
  名称：

  Synthese derp-Cumaroylspermidine

  摘要：

  The Synthesis of p‐CumaroylspermidinesThe synthesis of three mono[(E)‐3‐(4‐hydroxyphenyl)prop‐2‐enoyl]spermidines, 10, 20, and 28, three bis[(E)‐3‐(4‐hydroxyphenyl)prop‐2‐enoyl]spermidines, 6, 16, and 25, and one tris[(E)‐3‐(4‐hydroxyphenyl)prop‐2‐enoyl]‐spermidine is described.

  DOI：

  10.1002/hlca.19960790222

文献信息

• Substituted cyclic compounds and mixtures comprising same
  申请人：Isis Pharmaceuticals, Inc.

  公开号：US06191273B1

  公开（公告）日：2001-02-20

  Novel chemical compounds and mixtures of same are provided having antibacterial and other utilities. The mixtures preferably are formed by reacting a cyclic scaffold moiety with a set of chemical substituients. Libraries formed in accordance with the invention have utility per se and are articles of commerce. They can be used to screen for pesticides, drugs and other biologically active compounds.

  提供了具有抗菌和其他用途的新化合物和相同化合物的混合物。这些混合物最好是通过将一个环状支架基团与一组化学取代基反应而形成的。根据本发明形成的文库本身具有实用性，并且是商业产品。它们可用于筛选杀虫剂、药物和其他生物活性化合物。
• Nitrogenous macrocyclic compounds
  申请人：Isis Pharmaceuticals, Inc.

  公开号：US06107482A1

  公开（公告）日：2000-08-22

  Novel macrocyclic compounds are constructed to include large cyclic structures that are interrupted by at least one ring system. Each interrupting ring system includes two bridgehead atoms. Bridgehead atoms are bonded to one or more bridges that interconnect one or more ring systems thereby forming a large cyclic structure. Located in each bridge are two or more nitrogenous moieties that are derivatized with chemical functional groups. The ring systems can include further nitrogenous moieties, either as ring atoms or on pendant groups attached to the ring. These can also be derivatized with chemical functional groups. The totality of the chemical functional groups imparts certain conformational and other properties to the macrocyclic compounds. In accordance with certain embodiments of the invention, libraries of such macrocyclic compounds are prepared utilizing permutations and combinations of the chemical functional groups and the nitrogenous moieties to build complexity into the library.

  新型大环化合物被构建成包含至少一个环系统打断的大环结构。每个打断的环系统包括两个桥头原子。桥头原子与一个或多个桥连接，连接一个或多个环系统，从而形成一个大环结构。每个桥中都含有两个或更多的氮基团，这些氮基团经过化学官能团衍生。环系统可以包括进一步的氮基团，可以是环原子，也可以是连接到环上的侧链基团。这些也可以经过化学官能团衍生。化学官能团的总体赋予大环化合物特定的构象和其他性质。根据发明的某些实施例，利用化学官能团和氮基团的排列组合制备这种大环化合物的文库，以在文库中构建复杂性。
• Multifunctional molecular complexes for gene transfer to cells
  申请人：American Home Products Corporation

  公开号：US20020155607A1

  公开（公告）日：2002-10-24

  A multifunctional molecular complex for the transfer of a nucleic acid composition to a target cell is provided The complex is comprised of A) said nucleic acid composition and B) a transfer moiety comprising 1) one or more cationic polyamines bound to said nucleic acid composition, 2) one or more endosome membrane disrupting components attached to at least one nitrogen of the polyamine and 3) one or more receptor specific binding components.

  提供了一种用于将核酸组合物转移至靶细胞的多功能分子复合物。该复合物由A）所述核酸组合物和B）转移基团组成，其中包括1）与所述核酸组合物结合的一个或多个阳离子聚胺，2）连接到聚胺的至少一个氮的一个或多个内体膜破坏成分，以及3）一个或多个受体特异性结合成分。
• [EN] SUBSTITUTED QUINOLINES FOR THE TREATMENT OF CANCER<br/>[FR] QUINOLINES SUBSTITUES DESTINES AU TRAITEMENT DU CANCER
  申请人：CRYSTAX PHARMACEUTICALS S L

  公开号：WO2005054236A1

  公开（公告）日：2005-06-16

  Compounds of formula G1-L-G2, where -G1 is a radical structurally close to cryptolepine, -L- is a single covalent bond or a covalent linking biradical selected from (CH2)rNR''(CH2)s and -(CH2)rNR''(CH2)SNR''(CH2)t -, -R'' and -R'' are radicals, same or different, selected from the group consisting of H and (C1-C3)-alkyl; r , s and t are an integer from 1 to 3 and, -G2 is H or a radical structurally close to -G1, are intercalators. They are compounds which intercalate between DNA base pairs, and are useful as therapeutic agents against cancer, as assess by an in vitro test of cytotoxicity with human leukemia cells Jurkat E6-1 and human carcinoma cells GLC-4. Preferred compounds are those where -G1 is bonded to -L- through a carbonyl amino and -L-is -(CH2)3NCH3(CH2)3 or -(CH2)2NCH3(CH2)SNCH3(CH2)2- where s = 2 or 3. -G1 is a radical selected from (IIa) y (IIb); -G2 is a radical selected from H, a radical of formula (IIa), a radical of formula (IIb), the N-radical of 1,8-naphthalimide, the C4-radical of 2-phenylquinoline, and the C9-radical of acridine.

  式为G1-L-G2的化合物，其中-G1是结构与cryptolepine接近的基团，-L-是选择自(CH2)rNR''(CH2)s和-(CH2)rNR''(CH2)SNR''(CH2)t的单共价键或共价连接双基团，-R''和-R''是基团，相同或不同，选择自H和(C1-C3)-烷基；r，s和t是1到3之间的整数，-G2是H或结构与-G1接近的基团，是插入剂。它们是插入到DNA碱基对之间的化合物，并且可用作对抗癌症的治疗剂，通过对人类白血病细胞Jurkat E6-1和人类癌细胞GLC-4的体外细胞毒性测试进行评估。优选化合物是那些其中-G1通过一个羰基氨基与-L-结合，-L-是-(CH2)3NCH3(CH2)3或-(CH2)2NCH3(CH2)SNCH3(CH2)2-，其中s = 2或3。-G1是从(IIa)和(IIb)中选择的基团；-G2是从H、式为(IIa)的基团、式为(IIb)的基团、1,8-萘酰亚胺的N-基团、2-苯基喹啉的C4-基团和吖啶的C9-基团中选择的基团。
• Substituted quinolines for the treatment of cancer
  申请人：Aymami Bofarull Juan

  公开号：US20070105784A1

  公开（公告）日：2007-05-10

  Compounds of formula G 1 -L-G 2 , where -G 1 is a radical structurally close to cryptolepine, -L- is a single covalent bond or a covalent linking biradical selected from (CH 2 ) r NR′″(CH 2 ) s and —(CH 2 ) r NR′″(CH 2 ) S NR″″(CH 2 ) t —, —R′″ and —R″″ are radicals, same or different, selected from the group consisting of H and (C 1 -C 3 )-alkyl; r , s and t are an integer from 1 to 3 and, -G 2 is H or a radical structurally close to -G 1 , are intercalators. They are compounds which intercalate between DNA base pairs, and are useful as therapeutic agents against cancer, as assess by an in vitro test of cytotoxicity with human leukemia cells Jurkat E6-1 and human carcinoma cells GLC-4. Preferred compounds are those where -G 1 is bonded to -L- through a carbonyl amino and -L- is —(CH 2 ) 3 NCH 3 (CH 2 ) 3 or —(CH 2 ) 2 NCH 3 (CH 2 ) S NCH 3 (CH 2 ) 2 — where s =2 or 3. -G 1 is a radical selected from (IIa) y (IIb); -G 2 is a radical selected from H, a radical of formula (IIa), a radical of formula (IIb), the N-radical of 1,8-naphthalimide, the C4-radical of 2-phenylquinoline, and the C9-radical of acridine.

  化合物的公式为G1-L-G2，其中-G1是结构上接近cryptolepine的基团，-L-是单一共价键或共价连接的双基团，选择自(CH2)rNR′″(CH2)s和—(CH2)rNR′″(CH2)SNR″″(CH2)t—，其中，-R′″和-R″″是基团，相同或不同，选择自H和(C1-C3)-烷基；r、s和t为1到3的整数；-G2是H或结构上接近于-G1的基团，是插入剂。它们是插入到DNA碱基对之间的化合物，并且可用作治疗癌症的治疗剂，通过对人类白血病细胞Jurkat E6-1和人类癌细胞GLC-4的细胞毒性的体外测试进行评估。首选化合物是通过羰基氨基与-L-相连的-G1，其中-L-是—(CH2)3NCH3(CH2)3或—(CH2)2NCH3(CH2)SNCH3(CH2)2—，其中s=2或3。-G1是从(IIa)和(IIb)中选择的基团；-G2是从H、公式(IIa)的基团、公式(IIb)的基团、1,8-萘酰亚胺的N-基团、2-苯基喹啉的C4-基团和吖啶的C9-基团中选择的基团。