2-(1H-Benzimidazol-2-yl)ethan-1-amine → 1-[2-(1H-Benzoimidazol-2-yl)-ethyl]-3-((R)-1-{6-(2,2-diphenyl-ethylamino)-9-[(1R,2S,3R,4S)-4-(5-ethyl-tetrazol-2-yl)-2,3-dihydroxy-cyclopentyl]-9H-purin-2-yl}-pyrrolidin-3-yl)-urea hydrochloride

HRID 1641973

반응식

N[C@@H]1CCN(C2N=C3C(N=CN3[C@@H]3C[C@H](N4N=NC(CC)=N4)[C@@H](O)[C@H]3O)=C(NCC(C3C=CC=CC=3)C3C=CC=CC=3)N=2)C1.[ClH:45].[C:46]1([CH:52]([C:94]2[CH:99]=[CH:98][CH:97]=[CH:96][CH:95]=2)[CH2:53][NH:54][C:55]2[N:63]=[C:62]([N:64]3[CH2:68][CH2:67][C@@H:66]([NH:69][C:70]([NH:72][CH2:73]C4C=CC=CN=4)=[O:71])[CH2:65]3)[N:61]=[C:60]3[C:56]=2[N:57]=[CH:58][N:59]3[C@@H:80]2[CH2:84][C@H:83]([N:85]3[N:89]=[N:88][C:87]([CH2:90][CH3:91])=[N:86]3)[C@@H:82]([OH:92])[C@H:81]2[OH:93])[CH:51]=[CH:50][CH:49]=[CH:48][CH:47]=1.[NH:100]1[C:104]2[CH:105]=[CH:106][CH:107]=[CH:108][C:103]=2[N:102]=[C:101]1[CH2:109]CN>>[ClH:45].[NH:100]1[C:104]2[CH:105]=[CH:106][CH:107]=[CH:108][C:103]=2[N:102]=[C:101]1[CH2:109][CH2:73][NH:72][C:70]([NH:69][C@@H:66]1[CH2:67][CH2:68][N:64]([C:62]2[N:61]=[C:60]3[C:56]([N:57]=[CH:58][N:59]3[C@@H:80]3[CH2:84][C@H:83]([N:85]4[N:89]=[N:88][C:87]([CH2:90][CH3:91])=[N:86]4)[C@@H:82]([OH:92])[C@H:81]3[OH:93])=[C:55]([NH:54][CH2:53][CH:52]([C:94]3[CH:99]=[CH:98][CH:97]=[CH:96][CH:95]=3)[C:46]3[CH:47]=[CH:48][CH:49]=[CH:50][CH:51]=3)[N:63]=2)[CH2:65]1)=[O:71]

참가 물질

반응물 3

HCID 4151582-(1H-Benzimidazol-2-yl)ethan-1-amine

HCID 11650095(1R,2S,3R,5S)-3-[2-((R)-3-amino-pyrrolidin-1-yl)-6-(2,2-diphenyl-ethylamino)-purin-9-yl]-5-(5-ethyl-tetrazol-2-yl)-cyclopentane-1,2-diol

HCID 667357721-((R)-1-{6-(2,2-Diphenyl-ethylamino)-9-[(1R,2S,3R,4S)-4-(5-ethyl-tetrazol-2-yl)-2,3-dihydroxy-cyclopentyl]-9H-purin-2-yl}-pyrrolidin-3-yl)-3-pyridin-2-ylmethyl-urea hydrochloride

생성물 1

HCID 667359851-[2-(1H-Benzoimidazol-2-yl)-ethyl]-3-((R)-1-{6-(2,2-diphenyl-ethylamino)-9-[(1R,2S,3R,4S)-4-(5-ethyl-tetrazol-2-yl)-2,3-dihydroxy-cyclopentyl]-9H-purin-2-yl}-pyrrolidin-3-yl)-urea hydrochloride

실험 절차

This compound is prepared from ((1R,2S,3R,5S)-3-[2-((R)-3-amino-pyrrolidin-1-yl)-6-(2,2-diphenyl-ethylamino)-purin-9-yl]-5-(5-ethyl-tetrazol-2-yl)-cyclopentane-1,2-diol (Example 48) using a procedure analogous to that of 1-((R)-1-{6-(2,2-diphenyl-ethylamino)-9-[(1R,2S,3R,4S)-4-(5-ethyl-tetrazol-2-yl)-2,3-dihydroxy-cyclopentyl]-9H-purin-2-yl}-pyrrolidin-3-yl)-3-pyridin-2-ylmethyl-urea hydrochloride (Example 113) by replacing 2-aminomethyl pyridine with 2-(1H-benzoimidazol-2-yl)-ethylamine. MS (ES+) m/e 783.55 (MH+).

출처 및 근거

ORD 기록: ord-e16a8fec22134e588a6002658b5ba8f7
출처 데이터셋: uspto-grants-2012_02
DOI: 10.6084/m9.figshare.5104873.v1
특허 번호: US08114877B2

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