HRID1735639

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O

HCID8546

Pamoic acid

C23H16O6

结构：C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O

HCID448601

Octreotide

C49H66N10O10S2

PRODUCTS

生成物

结构：C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O

HCID44194024

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID21886435

1,4-Dioxane--water (1/1)

C4H10O3

PROCEDURE

实验过程

10.19 g of octreotide free base (10 mM) and 3.88 embonic acid (10 mM) are dissolved in 1 liter of water/dioxane (1:1). The reaction mixture is filtered, and lyophilized to give a yellow powder [α]20D=+7.5° (C=0.35, in DMF), of octreotide pamoate hydrate. Factor=1.4 wherein the factor=weight of lyophilizate/weight of octreotide contained therein.

WORKUP

后处理

filtrationThe reaction mixture is filtered
customto give a yellow powder [α]20D=+7.5° (C=0.35, in DMF)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b47e8b278e13464894097467ad20f6c6
来源数据集: uspto-grants-1996_07
DOI: 10.6084/m9.figshare.5104873.v1
专利: US05538739

反应 SMILES

[CH3:1][C@@H:2]([OH:71])[C@@H:3]1[NH:27][C:25](=[O:26])[C@H:24]([CH2:28][CH2:29][CH2:30][CH2:31][NH2:32])[NH:23][C:21](=[O:22])[C@@H:20]([CH2:33][C:34]2[C:38]3[CH:39]=[CH:40][CH:41]=[CH:42][C:37]=3[NH:36][CH:35]=2)[NH:19][C:17](=[O:18])[C@H:16]([CH2:43][C:44]2[CH:45]=[CH:46][CH:47]=[CH:48][CH:49]=2)[NH:15][C:13](=[O:14])[C@@H:12]([NH:50][C:51]([C@H:53]([NH2:61])[CH2:54][C:55]2[CH:56]=[CH:57][CH:58]=[CH:59][CH:60]=2)=[O:52])[CH2:11][S:10][S:9][CH2:8][C@@H:7]([C:62]([NH:64][C@@H:65]([C@H:68]([OH:70])[CH3:69])[CH2:66][OH:67])=[O:63])[NH:6][C:4]1=[O:5].[CH:72]1[CH:77]=[C:76]2[CH:78]=[C:79]([C:98]([OH:100])=[O:99])[C:80]([OH:97])=[C:81]([CH2:82][C:83]3[C:92]4[C:87](=[CH:88][CH:89]=[CH:90][CH:91]=4)[CH:86]=[C:85]([C:93]([OH:95])=[O:94])[C:84]=3[OH:96])[C:75]2=[CH:74][CH:73]=1>O.O1CCOCC1>[CH3:1][C@@H:2]([OH:71])[C@@H:3]1[NH:27][C:25](=[O:26])[C@H:24]([CH2:28][CH2:29][CH2:30][CH2:31][NH2:32])[NH:23][C:21](=[O:22])[C@@H:20]([CH2:33][C:34]2[C:38]3[CH:39]=[CH:40][CH:41]=[CH:42][C:37]=3[NH:36][CH:35]=2)[NH:19][C:17](=[O:18])[C@H:16]([CH2:43][C:44]2[CH:49]=[CH:48][CH:47]=[CH:46][CH:45]=2)[NH:15][C:13](=[O:14])[C@@H:12]([NH:50][C:51]([C@H:53]([NH2:61])[CH2:54][C:55]2[CH:60]=[CH:59][CH:58]=[CH:57][CH:56]=2)=[O:52])[CH2:11][S:10][S:9][CH2:8][C@@H:7]([C:62]([NH:64][C@@H:65]([C@H:68]([OH:70])[CH3:69])[CH2:66][OH:67])=[O:63])[NH:6][C:4]1=[O:5].[CH:72]1[CH:73]=[CH:74][C:75]2[C:76](=[CH:78][C:79]([C:98]([OH:100])=[O:99])=[C:80]([OH:97])[C:81]=2[CH2:82][C:83]2[C:84]([OH:96])=[C:85]([C:93]([OH:95])=[O:94])[CH:86]=[C:87]3[C:92]=2[CH:91]=[CH:90][CH:89]=[CH:88]3)[CH:77]=1