CAS号:935666-88-9-AZD1480 - (S)-5-chloro-N2-(1-(5-fluoropyrimidin-2-yl)ethyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine-科华智慧

1. 主信息

英文名:	(S)-5-chloro-N2-(1-(5-fluoropyrimidin-2-yl)ethyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
中文名:	AZD1480
CAS编号:	935666-88-9
化学分子式：	C₁₄H₁₄ClFN₈
化学分子量：	348.76 g/mol
SMILES：	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)NC(C)C3=NC=C(C=N3)F
来源：	合成化合物
结构类型：	-
其它名称或标识：	5-chloro-N2-(1-(5-fluoropyrimidin-2-yl)ethyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine AZD 1480 AZD-1480 AZD1480

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	5mg	99%	544	-20℃	现货	-
科华智慧	10mg	99%	960	-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 38 40 0 1 0 0 0 0 0999 V2000 -3.4937 -3.1090 -1.6150 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7497 2.7102 -2.2592 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5428 -2.1062 1.0142 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6010 -0.4795 -0.4088 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5018 -1.2864 0.3200 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6984 1.2846 0.3683 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5210 -0.2124 -0.1260 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1348 -3.5767 -0.0762 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8436 2.8079 0.9265 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5650 1.5184 0.6700 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9119 -0.7944 1.5778 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9312 -1.0282 2.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4090 0.1536 0.5397 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3431 -2.3325 0.3953 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6724 -1.5437 -0.2994 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5619 0.8595 0.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0649 2.9631 0.4085 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5623 1.7820 -0.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0070 -2.7746 -0.8259 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0554 -3.7636 -0.6834 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7360 4.2797 0.4926 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1761 2.1192 -0.5782 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9426 0.6681 -1.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 1.8608 -1.3295 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0322 -0.3571 2.0698 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2180 -2.8613 1.0375 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8458 -1.5024 2.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5108 -1.6838 3.4786 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2133 -0.0809 3.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4499 -0.7748 -0.8894 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5253 1.6718 -0.6523 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1886 3.4153 1.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2162 -4.7687 -1.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8690 4.5806 1.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1455 5.0487 -0.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7248 4.2513 0.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6072 3.0316 -0.7214 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8379 0.3789 -1.5971 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 24 1 0 0 0 0 3 11 1 0 0 0 0 3 14 1 0 0 0 0 3 26 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 4 30 1 0 0 0 0 5 14 1 0 0 0 0 5 15 2 0 0 0 0 6 13 1 0 0 0 0 6 22 2 0 0 0 0 7 13 2 0 0 0 0 7 23 1 0 0 0 0 8 14 2 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 9 32 1 0 0 0 0 10 16 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 25 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 15 19 1 0 0 0 0 16 18 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 31 1 0 0 0 0 19 20 2 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 24 1 0 0 0 0 22 37 1 0 0 0 0 23 24 2 0 0 0 0 23 38 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

5-chloro-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine

4.2 InChl

InChI=1S/C14H14ClFN8/c1-7-3-11(24-23-7)21-13-10(15)6-19-14(22-13)20-8(2)12-17-4-9(16)5-18-12/h3-6,8H,1-2H3,(H3,19,20,21,22,23,24)/t8-/m0/s1

4.3 InChlKey

PDOQBOJDRPLBQU-QMMMGPOBSA-N

4.4 Canonical SMILES

CC1=CC(=NN1)NC2=NC(=NC=C2Cl)NC(C)C3=NC=C(C=N3)F

4.5 lsomeric SMILES

CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F

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