HRID54920

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID71080

D-Alanine

C3H7NO2

2 次

HCID80170

2,5-Pyrrolidinedione, 1-hydroxy-

C4H5NO3

2 次

HCID2723939

1,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochloride

C8H18ClN3

结构：C[C@@H](NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)O

HCID22863182

未命名化合物

结构：Nc1ccccc1.O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1

HCID131719895

未命名化合物

PRODUCTS

生成物

结构：O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21.O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1

HCID87364501

未命名化合物

PROCEDURE

实验过程

The D-alanine-linked conjugate was prepared by first coupling D-alanine (Sigma Chemical Co.) to biotin-NHS ester. The resultant biotinyl-D-alanine was then activated with 1-(3-dimethylaminopropyl)-3-ethyl-carbodiimide hydrochloride (EDCI) and N-hydroxysuccinimide (NHS). This NHS ester was reacted in situ with DOTA-aniline to give the desired product which was purified by preparative HPLC.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-394a9cef44a645b19fb3a225578207dd
来源数据集: uspto-grants-1997_04
DOI: 10.6084/m9.figshare.5104873.v1
专利: US05624896
来源说明: uspto-grants-1997_04

反应 SMILES

N[C@@H:2]([C:4]([OH:6])=[O:5])[CH3:3].C(N[C@@H](C(O)=O)C)(=O)CC[CH2:10][CH2:11][C@H:12]1[C@@H:20]2[C@@H:15]([NH:16][C:17]([NH:19]2)=[O:18])[CH2:14][S:13]1.Cl.CN(C)CCCN=C=NCC.ON1C(=O)CCC1=O.[CH2:48]1[N:59]([CH2:60][C:61]([OH:63])=[O:62])[CH2:58][CH2:57][N:56]([CH2:64][C:65]([OH:67])=[O:66])[CH2:55][CH2:54][N:53]([CH2:68][C:69]([OH:71])=[O:70])[CH2:52][CH2:51][N:50]([CH2:72][C:73]([OH:75])=[O:74])[CH2:49]1.NC1C=CC=CC=1>>[CH2:49]1[N:50]([CH2:72][C:73]([OH:75])=[O:74])[CH2:51][CH2:52][N:53]([CH2:68][C:69]([OH:71])=[O:70])[CH2:54][CH2:55][N:56]([CH2:64][C:65]([OH:67])=[O:66])[CH2:57][CH2:58][N:59]([CH2:60][C:61]([OH:63])=[O:62])[CH2:48]1.[OH:6][C:4]([CH2:2][CH2:3][CH2:10][CH2:11][C@H:12]1[C@@H:20]2[C@@H:15]([NH:16][C:17]([NH:19]2)=[O:18])[CH2:14][S:13]1)=[O:5]