Tirilazad Mesylate → HCID 14307852, 화합물

반응식

[CH3:1][C:2](=O)[C@@H]1[C@]2(C)[C@H]([C@H]3C(=CC2)[C@]2(C)C(=CC(=O)C=C2)CC3)CC1.CS(O)(=O)=O.[CH3:29][C@@H:30]1[CH2:71][C@@H:70]2[C@:57]([CH3:74])([CH2:58][CH:59]=[C:60]3[C@H:69]2[CH2:68][CH2:67][C:66]2[C@:61]3([CH3:73])[CH:62]=[CH:63][C:64](=[O:72])[CH:65]=2)[C@H:31]1[C:32](=[O:56])[CH2:33][N:34]1[CH2:39][CH2:38][N:37]([C:40]2[CH:45]=C(N3CCCC3)N=[C:42]([N:51]3[CH2:55][CH2:54]CC3)[N:41]=2)[CH2:36][CH2:35]1.CS(O)(=O)=O.CS(O)(=O)=O.C[C@@H]1C[C@@H]2[C@](C)(CC=C3[C@H]2CCC2[C@]3(C)C=CC(=O)C=2)[C@H]1C(=O)CN1CCN(C2C=C(N3CCCC3)N=C(N3CCCC3)N=2)CC1.Cl.C[C@@H]1C[C@@H]2[C@](C)(CC=C3[C@H]2CCC2[C@]3(C)C=CC(=O)C=2)[C@H]1C(=O)CN1CCN(C2C=C(N3CCCC3)N=C(N3CCCC3)N=2)CC1>>[CH2:55]([NH:51][C:42]1[N:41]=[C:40]([N:37]2[CH2:36][CH2:35][N:34]([CH2:33][C:32](=[O:56])[C@@H:31]3[C@:57]4([CH3:74])[C@H:70]([C@H:69]5[C:60](=[CH:59][CH2:58]4)[C@:61]4([CH3:73])[C:66](=[CH:65][C:64](=[O:72])[CH:63]=[CH:62]4)[CH2:67][CH2:68]5)[CH2:71][C@H:30]3[CH3:29])[CH2:39][CH2:38]2)[CH:45]=[CH:2][CH:1]=1)[CH3:54]

참가 물질

반응물 4

HCID 104902Tirilazad Mesylate2회

HCID 18649329HCID 18649329, 화합물

HCID 22827684HCID 22827684, 화합물

HCID 67766221HCID 67766221, 화합물

생성물 1

HCID 14307852HCID 14307852, 화합물

실험 절차

The preferred amino substituted steroid (XI) is 16α-methyl-21-[4]2,6-bis(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]pregna-1,4,9(11)-triene-3,20-dione. More preferred is 16α-methyl-21-[4-[2,6-bis(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]pregna1,4,9(11)-triene -3,20-dione monomethanesulfonate, 16α-methyl-21-[4-[2,6-bis(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]pregna1,4,9(11)-triene-3,20-dione bismethanesulfonate and 16α-methyl-21-[4-[2,6-bis(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]pregna-1,4,9(11)-triene-3,20-dione hydrochloride. Most preferred is 16α-methyl-21-[4-[2,6-bis(1-pyrrolidinyl)4-pyrimidinyl]-1-piperazinyl]pregna-1,4,9(11)-triene-3,20-dione monomethanesulfonate.