CAS号:371942-69-7-YM201636 - 6-Amino-N-[3-[4-(4-morpholinyl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenyl]-3-pyridinecarboxamide-科华智慧

1. 主信息

英文名:	6-Amino-N-[3-[4-(4-morpholinyl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenyl]-3-pyridinecarboxamide
中文名:	YM201636
CAS编号:	371942-69-7
化学分子式：	C₂₅H₂₁N₇O₃
化学分子量：	467.5 g/mol
SMILES：	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N
来源：	合成化合物
结构类型：	-
其它名称或标识：	6-amino-N-(3-(4-(4-morpholinyl)pyrido(3',2'-4,5)furo(3,2-d)pyrimidin-2-yl)phenyl)-3-pyridinecarboxamide YM 201636 YM-201636 YM201636

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	98%	172	-20℃	现货	-
科华智慧	2mg	98%	281	-20℃	现货	-
科华智慧	5mg	98%	576	-20℃	现货	-
科华智慧	10mg	98%	768	-20℃	现货	-
科华智慧	25mg	98%	1536	-20℃	现货	-
科华智慧	50mg	98%	2880	-20℃	现货	-
科华智慧	100mg	98%	4480	-20℃	现货	-

回顶

3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 56 61 0 0 0 0 0 0 0999 V2000 6.7850 3.1922 -0.8684 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5365 -1.4248 -0.2048 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3044 2.3180 0.7473 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5760 1.5098 -0.4331 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2404 1.3787 0.0780 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1253 -0.7563 0.4762 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8948 -3.7814 -0.1061 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6961 0.7026 0.1715 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.3212 0.0151 -0.8831 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.1761 -2.1874 -1.1897 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4126 2.7782 -1.1567 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7447 1.4416 0.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4287 0.7692 -0.1311 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7273 3.1612 -1.8266 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9887 1.8975 -0.3035 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4664 -0.6062 -0.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3290 -1.3407 0.2619 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7263 -2.6999 0.2779 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 0.5895 0.3648 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0919 -2.7038 -0.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0692 1.2806 0.5822 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1063 -3.9381 0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2814 0.6583 0.2711 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0725 2.5764 1.1059 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8953 -5.0835 0.4192 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4875 1.3267 0.4823 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2443 -4.9461 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2782 3.2447 1.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4858 2.6200 1.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9927 1.2134 0.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0887 0.2901 -0.0795 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8964 -1.0678 -0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2841 0.7981 -0.5099 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9404 -1.9061 -0.3857 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1217 -1.3201 -0.8109 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1160 3.5575 -0.4439 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6332 2.6972 -1.9236 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9148 0.4324 0.8389 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5689 2.1026 1.3088 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9848 2.4613 -2.6309 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6443 4.1589 -2.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8390 1.9604 0.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2550 1.1903 -1.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0486 -4.0095 0.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3020 -0.3463 -0.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8502 3.0881 1.3694 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 -6.0643 0.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8730 -5.8300 0.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2761 4.2508 1.7266 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3752 3.2028 1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5879 -0.2202 -0.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9852 -1.5270 0.3573 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4760 1.8631 -0.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8201 -2.9834 -0.3342 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0397 -1.7550 -1.4939 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2237 -3.1039 -0.7617 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 16 1 0 0 0 0 2 20 1 0 0 0 0 3 30 2 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 13 2 0 0 0 0 5 19 1 0 0 0 0 6 17 1 0 0 0 0 6 19 2 0 0 0 0 7 20 1 0 0 0 0 7 27 2 0 0 0 0 8 26 1 0 0 0 0 8 30 1 0 0 0 0 8 51 1 0 0 0 0 9 33 1 0 0 0 0 9 35 2 0 0 0 0 10 35 1 0 0 0 0 10 55 1 0 0 0 0 10 56 1 0 0 0 0 11 14 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 15 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 16 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 20 2 0 0 0 0 18 22 1 0 0 0 0 19 21 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 22 25 2 0 0 0 0 22 44 1 0 0 0 0 23 26 1 0 0 0 0 23 45 1 0 0 0 0 24 28 2 0 0 0 0 24 46 1 0 0 0 0 25 27 1 0 0 0 0 25 47 1 0 0 0 0 26 29 2 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 2 0 0 0 0 32 34 2 0 0 0 0 32 52 1 0 0 0 0 33 53 1 0 0 0 0 34 35 1 0 0 0 0 34 54 1 0 0 0 0

回顶

4. 国际命名与标识

4.1 IUPAC Name

6-amino-N-[3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenyl]pyridine-3-carboxamide

4.2 InChl

InChI=1S/C25H21N7O3/c26-19-7-6-16(14-28-19)24(33)29-17-4-1-3-15(13-17)22-30-20-18-5-2-8-27-25(18)35-21(20)23(31-22)32-9-11-34-12-10-32/h1-8,13-14H,9-12H2,(H2,26,28)(H,29,33)

4.3 InChlKey

YBPIBGNBHHGLEB-UHFFFAOYSA-N

4.4 Canonical SMILES

C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N

4.5 lsomeric SMILES

4.6 SDF文件

补充中

回顶

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

回顶

6. 相关药材

中文名称

英文名称

拉丁文名称

回顶

7. 相关靶点

基因靶点

靶点位置

参考文献

回顶

8. 相关疾病

疾病名称

疾病类型