CAS号:192185-72-1-Tipifarnib - Tipifarnib-科华智慧

1. 主信息

英文名:	Tipifarnib
中文名:	Tipifarnib
CAS编号:	192185-72-1
化学分子式：	C₂₇H₂₂Cl₂N₄O
化学分子量：	489.4 g/mol
SMILES：	CN1C=NC=C1C(C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N
来源：	合成化合物
结构类型：	-
其它名称或标识：	(R)-6-(amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methyl)-4-(3-chlorophenyl)-1-methyl-2(1H)-quinolinone 2 (1H))-quinolinone,6-(amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methyl)-4-(3-chlorophenyl)-1-methyl-,(+)- R 115777 R-115777 R115777

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	2mg	98%	440	-20℃	现货	-
科华智慧	5mg	98%	800	-20℃	现货	-
科华智慧	10mg	98%	1280	-20℃	现货	-
科华智慧	50mg	98%	4000	-20℃	现货	-
科华智慧	100mg	98%	7040	-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 56 60 0 1 0 0 0 0 0999 V2000 -2.9183 -4.8382 0.4465 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0475 -4.2508 -2.7676 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.6757 2.1623 -0.1559 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2900 1.4265 -0.3539 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4962 1.5925 1.9491 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4477 2.7936 0.1096 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9024 2.5847 -2.2087 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0069 1.0921 0.6137 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5911 1.5422 0.4836 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0166 1.6498 -0.4953 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2495 -0.4773 0.5697 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7709 1.0092 0.2092 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4291 0.6046 0.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0827 2.3808 0.2368 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2853 2.8958 0.5112 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8452 0.0083 0.0504 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0404 3.3135 0.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7213 2.3225 -1.5608 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2142 -1.1236 1.7531 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4671 -1.0171 -0.6472 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1112 0.4371 -0.0662 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4836 1.8738 -0.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8272 2.0312 -1.4561 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6755 -1.4416 0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0326 0.7302 0.6697 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7678 4.2184 0.1394 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4260 -2.5018 1.7142 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6790 -2.3952 -0.6861 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6584 -3.1376 0.4945 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4663 -2.0753 -1.2171 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7232 -2.1808 1.1829 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3037 -3.4599 -1.2606 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5606 -3.5654 1.1395 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3509 -4.2049 -0.0823 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2126 -0.4576 0.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0563 3.6532 0.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8018 1.4008 2.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5960 2.6070 1.9219 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2294 4.3829 0.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7823 2.6601 -1.9719 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0082 -0.6748 2.7156 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4339 -0.4893 -1.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9415 -0.2553 -0.1857 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8896 2.0375 -1.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8481 -0.3415 0.6209 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8334 1.1488 1.6544 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1001 0.8812 0.4724 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4543 4.6431 1.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8431 4.3881 0.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2642 4.7231 -0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4002 -3.0692 2.6411 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8459 -2.8797 -1.6448 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4279 -1.4948 -2.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8840 -1.6965 2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5963 -4.1454 2.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2255 -5.2845 -0.1008 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 32 1 0 0 0 0 3 22 2 0 0 0 0 4 10 1 0 0 0 0 4 23 1 0 0 0 0 4 25 1 0 0 0 0 5 8 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 14 1 0 0 0 0 6 22 1 0 0 0 0 6 26 1 0 0 0 0 7 18 1 0 0 0 0 7 23 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 13 2 0 0 0 0 9 15 1 0 0 0 0 10 18 2 0 0 0 0 11 19 2 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 12 16 1 0 0 0 0 13 35 1 0 0 0 0 14 17 1 0 0 0 0 15 17 2 0 0 0 0 15 36 1 0 0 0 0 16 21 2 0 0 0 0 16 24 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 19 27 1 0 0 0 0 19 41 1 0 0 0 0 20 28 2 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 23 44 1 0 0 0 0 24 30 2 0 0 0 0 24 31 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 29 2 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 30 32 1 0 0 0 0 30 53 1 0 0 0 0 31 33 2 0 0 0 0 31 54 1 0 0 0 0 32 34 2 0 0 0 0 33 34 1 0 0 0 0 33 55 1 0 0 0 0 34 56 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one

4.2 InChl

InChI=1S/C27H22Cl2N4O/c1-32-16-31-15-25(32)27(30,18-6-9-20(28)10-7-18)19-8-11-24-23(13-19)22(14-26(34)33(24)2)17-4-3-5-21(29)12-17/h3-16H,30H2,1-2H3/t27-/m1/s1

4.3 InChlKey

PLHJCIYEEKOWNM-HHHXNRCGSA-N

4.4 Canonical SMILES

CN1C=NC=C1C(C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N

4.5 lsomeric SMILES

CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N

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