HRID1395935

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.[Na+]

HCID10179807

未命名化合物

结构：CC(=O)O.CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O

HCID12004215

Oxytocin acetate

C45H70N12O14S2

PRODUCTS

生成物

结构：CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O

HCID439302

Oxytocin

C43H66N12O12S2

收率 79%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID887

Methanol

CH4O

溶剂HCID8857

Ethyl acetate

C4H8O2

PROCEDURE

实验过程

PLGA polymer (MW 24,000, 180 mg) was dissolved in EtOAc (1800 μL). Oxytocin acetate (40 mg) was dissolved in MeOH (200 μL) and added to the polymer solution yielding a milky suspension as the organic phase. The resulting organic phase was combined with a 1% PVA aqueous phase containing 10 mM disodium pamoate to provide an emulsion. The emulsion was collected directly into a 0.3% PVA solvent extraction solution (150 mL) and stirred for four hours to extract EtOAc. Hardened microparticles were collected by filtration, washed with water, air dried and stored at 4° C. This provided formulation BM (158 mg, 79.0% yield) with a median particle size 144 μm. The core load (8.9%), encapsulation efficiency (44.5%) and in vitro burst (21.1%) were determined by RP-HPLC assay.

WORKUP

后处理

additionadded to the polymer solution
customyielding a milky suspension as the organic phase
customto provide an emulsion
customThe emulsion was collected directly into a 0.3% PVA solvent extraction solution (150 mL)
extractionto extract EtOAc
filtrationHardened microparticles were collected by filtration
washwashed with water, air
customdried
customstored at 4° C

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-75d558ae9381413bafa6cd500e091d1b
来源数据集: uspto-grants-2014_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08900636B2
来源说明: uspto-grants-2014_12

反应 SMILES

[CH3:1][CH2:2][C@@H:3]([C@@H:5]1[NH:29][C:27](=[O:28])[C@H:26]([CH2:30][C:31]2[CH:36]=[CH:35][C:34]([OH:37])=[CH:33][CH:32]=2)[NH:25][C:23](=[O:24])[C@@H:22]([NH2:38])[CH2:21][S:20][S:19][CH2:18][C@@H:17]([C:39]([N:41]2[C@H:45]([C:46]([NH:48][C@H:49]([C:54]([NH:56][CH2:57][C:58]([NH2:60])=[O:59])=[O:55])[CH2:50][CH:51]([CH3:53])[CH3:52])=[O:47])[CH2:44][CH2:43][CH2:42]2)=[O:40])[NH:16][C:14](=[O:15])[C@H:13]([CH2:61][C:62]([NH2:64])=[O:63])[NH:12][C:10](=[O:11])[C@H:9]([CH2:65][CH2:66][C:67]([NH2:69])=[O:68])[NH:8][C:6]1=[O:7])[CH3:4].CC(O)=O.C1C=C2C=C(C(O)=O)C(O)=C(CC3C4C(=CC=CC=4)C=C(C(O)=O)C=3O)C2=CC=1.[Na+]>CCOC(C)=O.CO>[CH3:1][CH2:2][C@@H:3]([C@@H:5]1[NH:29][C:27](=[O:28])[C@H:26]([CH2:30][C:31]2[CH:36]=[CH:35][C:34]([OH:37])=[CH:33][CH:32]=2)[NH:25][C:23](=[O:24])[C@@H:22]([NH2:38])[CH2:21][S:20][S:19][CH2:18][C@@H:17]([C:39]([N:41]2[C@H:45]([C:46]([NH:48][C@H:49]([C:54]([NH:56][CH2:57][C:58]([NH2:60])=[O:59])=[O:55])[CH2:50][CH:51]([CH3:53])[CH3:52])=[O:47])[CH2:44][CH2:43][CH2:42]2)=[O:40])[NH:16][C:14](=[O:15])[C@H:13]([CH2:61][C:62]([NH2:64])=[O:63])[NH:12][C:10](=[O:11])[C@H:9]([CH2:65][CH2:66][C:67]([NH2:69])=[O:68])[NH:8][C:6]1=[O:7])[CH3:4]