CAS号:1403254-99-8-EPZ-6438 - Tazemetostat-科华智慧

1. 主信息

英文名:	Tazemetostat
中文名:	EPZ-6438
CAS编号:	1403254-99-8
化学分子式：	C₃₄H₄₄N₄O₄
化学分子量：	572.7 g/mol
SMILES：	CCN(C1CCOCC1)C2=CC(=CC(=C2C)C(=O)NCC3=C(C=C(NC3=O)C)C)C4=CC=C(C=C4)CN5CCOCC5
来源：	合成化合物
结构类型：	-
其它名称或标识：	(1,1'-biphenyl)-3-carboxamide, N-((1,2-dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl)-5-(ethyl(tetrahydro-2h-pyran-4-yl)amino)-4-methyl-4'-(4-morpholinylmethyl)-, hydrobromide (1:2) (1,1'-biphenyl)-3-carboxamide, N-((1,2-dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl)-5-(ethyl(tetrahydro-2h-pyran-4-yl)amino)-4-methyl-4'-(4-morpholinylmethyl)-, hydrochloride (1:1) E 7438 E-7438 hydrobromide E7438

2. 供应商与价格

供应商	包装规格	含量	价格(元)	环境要求	货期	说明
科华智慧	1mg	99%	216	-20℃	现货	-
科华智慧	5mg	99%	360	-20℃	现货	-
科华智慧	10mg	99%	560	-20℃	现货	-
科华智慧	50mg	99%	1280	-20℃	现货	-
科华智慧	100mg	99%	2240	-20℃	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 86 90 0 1 0 0 0 0 0999 V2000 0.6915 6.6443 1.4214 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7807 -1.2361 -0.5358 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8484 -1.5406 -2.3376 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3804 -2.8897 2.3543 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7260 3.1307 -0.8154 N 0 0 3 0 0 0 0 0 0 0 0 0 -7.1499 -1.8353 0.3703 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7075 -2.3907 -0.1828 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4445 -1.9870 1.9247 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5731 3.9786 0.3458 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5227 5.0133 0.0914 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8961 4.6746 0.6666 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5799 6.0235 1.2307 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 5.7022 1.7751 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5033 1.7392 -0.7174 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1174 3.7220 -2.0782 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5187 0.8299 -1.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7515 1.2783 -0.3191 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0648 3.4435 -3.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9909 -0.0922 -0.2165 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2794 -0.5405 -0.9107 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0245 -1.0015 -0.5123 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8655 1.3253 -1.4399 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2924 -0.5702 0.1965 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1433 -1.9850 1.4192 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6491 -0.4541 0.3193 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2666 -2.7667 0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8018 -1.4922 0.9934 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3406 -1.5332 -1.2193 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0770 0.1982 1.0565 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7626 -1.7997 -0.2649 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7067 -0.3253 -0.7732 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3088 -2.5838 -0.5175 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3317 -0.2627 1.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0172 -2.2608 0.1334 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7286 -3.3819 -0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0498 -2.7796 0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0397 -2.4154 -0.7807 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2470 -2.5636 1.5446 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2609 -1.8144 -0.2671 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4345 -1.6166 1.0468 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0229 -2.5800 -2.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6638 -1.0048 1.6384 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2876 3.3866 1.2268 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3430 5.5724 -0.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4968 4.5237 -0.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6517 3.9390 0.9662 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2953 5.1986 -0.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3040 6.8102 0.9961 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8986 5.5503 2.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4391 5.2208 2.7238 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6347 6.2562 1.9354 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2163 4.8104 -2.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0922 3.3973 -2.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5356 2.0077 -0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0043 2.3783 -3.3798 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9274 3.7731 -2.8073 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3086 3.9782 -4.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1236 -2.0744 -0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9206 1.4118 -2.5291 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1400 2.2691 -0.9597 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6607 0.6415 -1.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0182 -3.0477 1.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4622 -1.5117 2.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8413 0.2501 0.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0900 -0.1706 1.2841 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7305 -2.5867 1.5606 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9103 -3.8030 0.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7403 1.1465 1.4665 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2019 -2.4179 -0.9606 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2844 -0.5086 -1.7688 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1230 0.6871 -0.7716 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1684 -3.2346 -0.3282 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9064 -2.8443 -1.5041 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9302 0.3431 2.1304 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3756 -3.2171 -0.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2502 -2.2970 0.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4780 -4.2187 0.3434 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7141 -3.7810 -1.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0314 -1.5281 -0.9766 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6073 -1.8261 2.9148 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8846 -3.1728 -2.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0743 -1.6008 -2.7646 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1326 -3.0834 -2.6553 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1431 -1.7034 2.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3987 -0.7406 0.8707 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4109 -0.0910 2.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 28 2 0 0 0 0 4 38 2 0 0 0 0 5 9 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 28 1 0 0 0 0 7 35 1 0 0 0 0 7 76 1 0 0 0 0 8 38 1 0 0 0 0 8 40 1 0 0 0 0 8 80 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 43 1 0 0 0 0 10 12 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 13 1 0 0 0 0 11 46 1 0 0 0 0 11 47 1 0 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 13 50 1 0 0 0 0 13 51 1 0 0 0 0 14 16 1 0 0 0 0 14 17 2 0 0 0 0 15 18 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 16 20 2 0 0 0 0 16 22 1 0 0 0 0 17 19 1 0 0 0 0 17 54 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 21 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 28 1 0 0 0 0 21 58 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 23 29 2 0 0 0 0 23 30 1 0 0 0 0 24 27 1 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 25 31 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 26 32 1 0 0 0 0 26 66 1 0 0 0 0 26 67 1 0 0 0 0 27 33 2 0 0 0 0 27 34 1 0 0 0 0 29 33 1 0 0 0 0 29 68 1 0 0 0 0 30 34 2 0 0 0 0 30 69 1 0 0 0 0 31 70 1 0 0 0 0 31 71 1 0 0 0 0 32 72 1 0 0 0 0 32 73 1 0 0 0 0 33 74 1 0 0 0 0 34 75 1 0 0 0 0 35 36 1 0 0 0 0 35 77 1 0 0 0 0 35 78 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 37 41 1 0 0 0 0 39 40 2 0 0 0 0 39 79 1 0 0 0 0 40 42 1 0 0 0 0 41 81 1 0 0 0 0 41 82 1 0 0 0 0 41 83 1 0 0 0 0 42 84 1 0 0 0 0 42 85 1 0 0 0 0 42 86 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide

4.2 InChl

InChI=1S/C34H44N4O4/c1-5-38(29-10-14-41-15-11-29)32-20-28(27-8-6-26(7-9-27)22-37-12-16-42-17-13-37)19-30(25(32)4)33(39)35-21-31-23(2)18-24(3)36-34(31)40/h6-9,18-20,29H,5,10-17,21-22H2,1-4H3,(H,35,39)(H,36,40)

4.3 InChlKey

NSQSAUGJQHDYNO-UHFFFAOYSA-N

4.4 Canonical SMILES

CCN(C1CCOCC1)C2=CC(=CC(=C2C)C(=O)NCC3=C(C=C(NC3=O)C)C)C4=CC=C(C=C4)CN5CCOCC5

4.5 lsomeric SMILES

4.6 SDF文件

补充中

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5. 波谱数据

5.1 ¹³C核磁共振谱(¹³C NMR)

5.2 ¹H核磁共振谱(¹H NMR)

5.3 质谱(MS)

补充中

5.4 红外光谱(IR)

补充中

5.5 紫外/可见光谱(UV/Vis)

补充中

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6. 相关药材

中文名称

英文名称

拉丁文名称

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7. 相关靶点

基因靶点

靶点位置

参考文献

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8. 相关疾病

疾病名称

疾病类型