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长川霉素 | 104987-12-4

长川霉素
Ascomycin
104987-12-4
C43H69NO12
792.0075
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:长川霉素结构式
6437370
长川霉素价格
简介
Ascomycin (Immunomycin; FR-900520; FK520) 是 Tacrolimus (FK506) 的乙基类似物,具有很强的免疫抑制特性。Ascomycin 也是一种大环聚酮类抗生素,具有抗疟疾、抗真菌和抗痉挛等多种生物活性。Ascomycin 可防止移植排斥,并具有用于各种皮肤病研究的潜力。
名称和标识符
MDL MFCD06198665
InChIKey ZDQSOHOQTUFQEM-NURRSENYSA-N
Inchi 1S/C43H69NO12/c1-10-30-18-24(2)17-25(3)19-36(53-8)39-37(54-9)21-27(5)43(51,56-39)40(48)41(49)44-16-12-11-13-31(44)42(50)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-32(45)35(22-29)52-7/h18,20,25,27-33,35-39,45-46,51H,10-17,19,21-23H2,1-9H3/b24-18+,26-20+/t25-,27+,28+,29-,30+,31-,32+,33-,35+,36-,37-,38+,39+,43+/m0/s1
SMILES O1[C@]2(C(C(N3C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]3([H])C(=O)O[C@]([H])(/C(/C([H])([H])[H])=C(\[H])/[C@]3([H])C([H])([H])C([H])([H])[C@]([H])([C@@]([H])(C3([H])[H])OC([H])([H])[H])O[H])[C@]([H])(C([H])([H])[H])[C@]([H])(C([H])([H])C([C@]([H])(C([H])([H])C([H])([H])[H])C([H])=C(C([H])([H])[H])C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])[C@@]([H])([C@]1([H])[C@]([H])(C([H])([H])[C@@]2([H])C([H])([H])[H])OC([H])([H])[H])OC([H])([H])[H])=O)O[H])=O)=O)O[H] |c:77|
别名信息
- 中文别名 -
  • 长川霉素
  • 子囊霉素
  • Ascomycin 抑制剂
  • 四水合铬酸钠
  • 子囊
  • 子囊霉素 标准品
  • 8-乙基-3-(2-(4-羟基-3-甲氧环己基)-1-甲基乙烯基)-14,16-二甲烷
  • 长川霉素 &nbsp
  • 子囊霉素 &nbsp
- 英文别名 -
  • Ascomycin
  • AAG
  • FK-520
  • FR-900520
  • IMMUNOMYCIN
  • ASCOMYCIN, STREPTOMYCES HYGROSCOPICUS
  • ASCOMYCIN, STREPTOMYCES HYGROSCOPICUS VAR ASCOMYCETICUS
  • 12,18-tetramethyl-,(3s-(3r*(e(1s*,3s*,4s*)),4s*,19s*,26ar*))--10
  • 8-ethyl-3-(2-(4-hydroxy-3-methoxycyclohexyl)-1-methylethenyl)-14,16-dimethoxy
  • Ascomycin (FK 520,Immunomycin, FR-900520, L 683590,Changchuanmycin)
  • Ascomycin solution
  • &nbsp
  • 1,4-dideoxy-(1S)-1-C-(4-hydroxypyrrolo[3,2-d]pyrimidin-7-yl)-1,4
  • 4H-Pyrrolo3,2-dpyrimidin-4-one,7-(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-pyrrolidinyl-1,5-dihydro
  • 7-((2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl)-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one
  • 7-[(2S,3S,4R,5R)-3,4-Dihydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
  • changchuanmycin
  • FK 520
  • Fodosine
  • FR 900520
  • Isopamphos
  • 15,19-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone,8-ethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-3-[2-(4-hydroxy-3-methoxycyclohexyl)-1-methylethenyl]-14,16-dimethoxy-4,10,12,18-tetramethyl-,[3S-[3R*[E(1S*,3S*,4S*)],4S*,5R*,8S*,9E,12R*,14R*,15S*,16R*,18S*,19S*,26aR*]]-
  • FR 520
  • L 683590
  • FK520
  • Ascomycin (FK520)
  • AUF4U5NSJK
  • Ascomycin(FK 520)
  • C43H69NO12
  • BSPBio_001318
  • Ascomycin from Streptomyces hygroscopicus var. ascomyceticus
  • SCHEMBL25512
  • HY-13557
  • NCGC00163418-02
  • (E)-(S)-17-Ethyl-1,14-dihydroxy-12-[(E)-2-(4-hydroxy-3-methoxy-cyclohexyl)-1-methyl-vinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-aza-tricyclo[22.3.1.0*4,9*]oct acos-18-ene-2,3,10,16-tetraone
  • ZDQSOHOQTUFQEM-NURRSENYSA-N
  • Changchuanmycin
  • (1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-17-ethyl-1,14-dihydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone
  • L-683590
  • L 683,590
  • TACROLIMUS IMPURITY, ASCOMYCIN- [USP IMPURITY]
  • MFCD06198665
  • HMS1989B20
  • L-683,590
  • BRD-K88998544-001-02-4
  • s7411
  • 11011-38-4
  • Q4803998
  • (ascomycin)17-Ethyl-1,14-dihydroxy-12-[2-(4-hydroxy-3-methoxy-cyclohexyl)-1-methyl-vinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-aza-tricyclo[22.3.1.0*4,9*]octacos-18-ene-2,3,10,16-tetraone
  • FR-520
  • 135635-46-0
  • NSC-106410
  • HB0123
  • BDBM50068939
  • ascomycin
  • HMS1791B20
  • NS00011663
  • Immunomycin
  • CCG-270483
  • CHEMBL8597
  • CHEBI:29582
  • (1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-17-ethyl-1,14-dihydroxy-12-[(1E)-1-[(1R,3R,4R)-4-Hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone
  • EX-A1796
  • (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R ,19R,26aS)-8-Ethyl-5,6,8,11,12,13,14,15,16,17,18,1 9,24,25,26,26a-hexadecahydro-5,19-dihydroxy-3-[(1E )-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl]-14,16-dimethoxy-4,10,12,18-tetrameth yl-15,19-epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)tetrone
  • NCGC00163418-01
  • BRD-K99369265-001-01-4
  • 15,19-Epoxy-3H-pyrido(2,1-c)(1,4)oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 8-ethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-3-(2-(4-hydroxy-3-methoxycyclohexyl)-1-methylethenyl)-14,16-dimethoxy-4,10,12,18-tetram
  • HMS3402B20
  • 104987-12-4
  • NSC 106410
  • TACROLIMUS MONOHYDRATE IMPURITY A [EP IMPURITY]
  • CHEBI:94818
  • (E)-(9S,12S,13R,14S,17R,21S,23S,24R,25S,27S)-17-Ethyl-1,14-dihydroxy-12-[(E)-2-((1R,3R,4R)-4-hydroxy-3-methoxy-cyclohexyl)-1-methyl-vinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-aza-tricyclo[22.3.1.0*4,9*]octacos-18-ene-2,3,10,16-tetraone
  • (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-8-Ethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-3-[(1E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl]-14,16-dimethoxy-4,10,12,18-tetramethyl-15,19-epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)tetrone
  • (1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-17-ethyl-1,14-dihydroxy-12-[(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.0?,?]octacos-18-ene-2,3,10,16-tetrone
  • UNII-AUF4U5NSJK
  • AKOS015916691
  • (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-8-ethyl-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone
  • DTXSID80894126
  • Ascomycin (FK 520, FR 900520, Imm
  • CS-1516
  • IDI1_033788
  • (E)-17-Ethyl-1,14-dihydroxy-12-[(E)-2-(4-hydroxy-3-methoxy-cyclohexyl)-1-methyl-vinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-aza-tricyclo[22.3.1.0*4,9*]octacos-18-ene-2,3,10,16-tetraone
  • (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,22R,26aS)-8-ethyl-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone
  • 15,19-Epoxy-3H-pyrido(2,1-c)(1,4)oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-8-ethyl-3-(2-(4-hydroxy-3-methoxycyclohexyl)-1-methylethenyl)-14,16-dimethoxy-4,10,12,18-tetramethyl-, (3S-(3R*(E(1S*,3S*,4S*)),4S*,19S*,26aR*))-
  • HMS1361B20
  • 17-Ethyl-1,14-dihydroxy-12-[2-(4-hydroxy-3-methoxy-cyclohexyl)-1-methyl-vinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-aza-tricyclo[22.3.1.0*4,9*]octacos-18-ene-2,3,10,16-tetraone
  • Immunomycin
  • FK520
  • FR 900520
  • FT-0662303
  • 17-ethyl-1,14-dihydroxy-12-[2'-(4'-hydroxy-3'-methoxycyclohexyl)-1'-methylvinyl] -23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9 ]octacos-18-ene-2,3,10,16-tetraone
  • 17-ethyl-1,14-dihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone
  • 17-ethyl-1, 14-dihydroxy-12-[2'-(4'-hydroxy-3'-methoxycyclohexyl)-1 '-methylvinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9 ]octacos-18-ene-2,3,10,16-tetraone
  • 17-ethyl-1,14-dihydroxy-12-[2'-(4'-hydroxy-3'-methoxycyclohexyl)-1'-methylvinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo [22.3.1.04,9 ]octacos-18-ene-2,3,10,16-tetraone
  • 17-ethyl-1,14-dihydroxy-12-[2'(4'-hydroxy-3'-methoxycyclohexyl)-1'-methylvinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9 ]octacos-18-ene-2,3,10,16-tetraone
  • 17-ethyl-1,14-dihydroxy-12-[2'-(4'-hydroxy-3'-methoxycyclohexyl)-1'-methylvinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl -11,28-dioxa-4-azatricyclo[22.3.1.04,9 ]octacos-18-ene-2,3,10,16-tetraone
  • 17-ethyl-1,14-dihydroxy-12-[2'-(4'-hydroxy-3'-methoxycyclohexyl)-1'-methylvinyl]-23,25-dimethoxy-13,19,21,-27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9 ]octacos-18-ene-2,3,10,16-tetraone
  • 17-Ethyl-1,14-dihydroxy-12-[2-(4-hydroxy-3-methoxycyclo hexyl)-1-methylvinyl)-23,25-dimethoxy-13,19,21,27-tetra methyl-11,28-dioxa-4-azatricyclo(22.3.1.04,9 ]octacos-18-ene-2,3,10,16-tetraone
  • Ascomycin (Immunomycin,FK-520)
  • 1,14-dihydroxy-12-[2-(4-hydroxy-3-methoxycyclohexyl)-1-methylvinyl]-23,25-dimethoxy-17-ethyl-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo [22.3.1.04,9 ]octacos-18-ene-2,3,10,16-tetraone
  • 17-ethyl-1,14-dihydroxy-12-[2'-(4'-hydroxy -3'-methoxycyclohexyl)-1'-methylvinyl]-23,25-dimethoxy -13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo-[22.3.1.04,9 ]octacos-18-ene-2,3,10,16-tetraone
  • 17-ethyl-1,14-dihydroxy-12-[2'-(4'-hydroxy-3'-methoxycyclohexyl)-1'-methylvinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9 ]-octacos-18-ene-2,3,10,16-tetraone
  • 17-ethyl-1,14-dihydroxy-12-[2'-(4'-hydroxy-3'-methoxycyclohexyl)-1'-methylvinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetraone
  • 17-ethyl-1, 14-dihydroxy-12-[2'-(4'-hydroxy-3'-methoxycyclo-hexyl)-1'-methylvinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9 ]octacos-18-ene-2,3,10,16-tetraone
  • BCP28504
  • 17-ethyl-1,14-dihydroxy-12-[2'-(4'-hydroxy-3'-methoxycyclohexyl)-1'-methylvinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo-[22.3.1.04,9 ]octacos-18-ene-2,3,10,16-tetraone
  • 17-ethyl-1,14-dihydroxy-12-[2'-(4'-hydroxy-3'-methoxycyclohexyl)-1'-methylvinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9 ]octacos-18-ene-2,3,-10,16-tetraone
  • ZDQSOHOQTUFQEM-UHFFFAOYSA-N
  • 17-ethyl-1,14-dihydroxy-12-[2'-(4'-hydroxy-3'-methoxycyclohexyl)-1'-methylvinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9 ]octacos-18ene-2,3,10,16-tetraone
  • 17-ethyl-1,14-dihydroxy-12-[2'-(4'-hydroxy-3'-methoxycyclohexyl)-1'-methylvinyl]-23, 25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa -4-azatricyclo[22.3.1.04,9 ]octacos-18-ene-2,3,10,16-tetraone
  • 17-ethyl-1,14-dihydroxy-12-[2'-(4'-hydroxy-3'-methoxycyclohexyl)-1'-methylvinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9 ]octacos-18-ene2,3,10,16-tetraone
  • 17-ethyl-1,14-dihydroxy-12-[2'-(4'-hydroxy-3'-methoxycyclo-hexyl)-1'-methylvinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9 ]-octacos-18-ene-2,3,10,16-tetraone
  • 17-ethyl-1,14-dihydroxy-12-[2'-(4'-hydroxy-3'-methoxycyclohexyl)-1'-methylvinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9 ]octacos-18-ene-2,3,10,16-tetraone
  • 17-ethyl-1,14-dihydroxy-12-[2'-(4'-hydroxy-3'-methoxycyclohexyl)-1'-methylvinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9 ]octacos-18-ene-2,3,10,16-tetrone
  • 17-ethyl-1,14-dihydroxy-12-[2'-(4'-hydroxy-3'-methoxycyclohexyl)-1'-methylvinyl]-23,25 -dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9 ]octacos-18-ene-2,3,10,16-tetraone
  • 17-ethyl-1,14-dihydroxy-12-[2'-(4'-hydroxy-3'-methoxycyclohexyl)-1'-methylvinyl]23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9 ]octacos-18-ene-2,3,10,16-tetraone
  • J-001327
  • (1R,9S,12S,13R,14S,17R,18Z,21S,23S,24R,25S,27R)-17-ethyl-1,14-dihydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone
  • (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-8-Ethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-3-[(1E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl]-14,16-dimethoxy-4,10,12,18-tetramethyl-15,19-epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone
  • A903921
  • NCGC00179225-01
  • FK 520
  • FR 900520
  • (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-8-Ethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-3-[(1E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl]-14,16-dimethoxy-4,10,12,18-tetramethyl-15,19-epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)tetrone
  • ASCOMYCIN
  • SMR000127507
  • MLS000517271
  • MLSMR
  • ascomycin (major)
物化性质
实验特性
LogP 4.41080
PSA 178.36000
折射率 1.543
水溶性 Soluble in DMSO at 65mg/ml; soluble in ethanol at 50mg/m; with warming. Very poorly soluble in water
沸点 868℃
熔点 155-157°C
闪点 >110°(230°F)
颜色与性状 长川霉素原药外观为白色至淡黄色粉末,无可见外来杂质。
溶解性 Soluble in DMSO at 65mg/ml; soluble in ethanol at 50mg/m; with warming. Very poorly soluble in water
密度 1.2±0.1 g/cm3
计算特性
精确分子量 791.48200
氢键供体数量 3
氢键受体数量 12
可旋转化学键数量 6
同位素质量 791.48197664g/mol
重原子数量 56
复杂度 1430
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 14
确定化学键立构中心数量 0
不确定化学键立构中心数量 2
共价键单元数量 1
疏水参数计算参考值(XlogP) 2.5
拓扑分子极性表面积 178
国际标准相关数据
EINECS 106410
海关数据
海关编码 29419090
专业数据库参考
PubChemId 6437370
化合物详情(旧版)

SMILES

CC[C@@H]1C(=O)C[C@H](O)[C@@H](C)[C@@H](C(\C)=C\[C@@H]2C[C@H](OC)[C@@H](O)CC2)OC(=O)[C@H]3N(CCCC3)C(=O)C(=O)[C@@]4(O)[C@H](C)C[C@@H](OC)[C@@H]([C@H](OC)C[C@@H](C)CC(/C)=C\1)O4

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