CAS号:1617-90-9-长春胺 - Vincamine-科华智慧

1. 主信息

英文名:	Vincamine
中文名:	长春胺
CAS编号:	1617-90-9
化学分子式：	C₂₁H₂₆N₂O₃
化学分子量：	354.4 g/mol
SMILES：	CCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(C2)(C(=O)OC)O
来源：	合成化合物
结构类型：	-
其它名称或标识：	Cerebroxine Devincan Pervincamine Vincamine Vincapront

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	20mg	HPLC≥98%	144	2-8℃	现货	-
科华智慧	100mg	98%	64	2-8℃	现货	-
科华智慧	250mg	98%	96	2-8℃	现货	-
科华智慧	1g	98%	192	2-8℃	现货	-
科华智慧	5g	98%	640	2-8℃	现货	-
科华智慧	25g	98%	2080	2-8℃	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 52 56 0 1 0 0 0 0 0999 V2000 0.2073 -1.7040 -1.8489 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5288 -2.2163 1.3589 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3046 -3.6888 -0.4070 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3718 1.8219 0.6622 N 0 0 2 0 0 0 0 0 0 0 0 0 0.6380 -0.2184 -0.0905 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2538 -0.6423 0.0061 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6223 0.5429 0.7787 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2696 -1.8513 0.0512 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1901 0.7445 0.4085 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5860 -0.2241 -1.4446 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1719 -1.5610 -0.4339 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5580 -1.0859 0.7154 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3841 1.0784 -1.4913 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6726 2.1951 -0.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4873 1.9365 0.4878 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6543 2.9117 1.3749 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2060 3.1934 0.8895 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8956 0.3295 -0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8197 1.6874 0.0681 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1655 -2.2751 0.0139 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0589 -2.6254 0.1461 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0907 -0.2315 -0.7726 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9672 2.4968 -0.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2153 0.5913 -0.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1567 1.9360 -0.5347 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3920 -3.1413 2.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6228 0.2743 1.8461 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6566 -2.6806 -0.5517 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2289 -2.2129 1.0894 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0924 -1.0037 -2.0184 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6565 -0.0393 -1.9966 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2920 -0.2746 0.7637 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3472 -1.3605 1.7571 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5126 1.3841 -2.5365 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3925 0.9286 -1.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7662 2.4700 -1.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3230 3.0782 -0.7312 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6165 2.6417 2.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2402 3.8382 1.3344 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3539 3.7005 1.6832 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2383 3.8676 0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4714 -2.0790 -1.0151 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5449 -3.1731 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0883 -2.5473 0.5423 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1483 -2.5783 -2.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1523 -1.2746 -1.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9339 3.5505 0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1476 0.1731 -1.2547 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0418 2.5585 -0.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6959 -2.6955 2.9785 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2862 -3.3275 1.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8605 -4.0757 2.2312 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 45 1 0 0 0 0 2 21 1 0 0 0 0 2 26 1 0 0 0 0 3 21 2 0 0 0 0 4 7 1 0 0 0 0 4 14 1 0 0 0 0 4 16 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 8 11 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 15 2 0 0 0 0 10 13 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 21 1 0 0 0 0 12 20 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 22 2 0 0 0 0 19 23 2 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 22 24 1 0 0 0 0 22 46 1 0 0 0 0 23 25 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

methyl (15S,17S,19S)-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate

4.2 InChl

InChI=1S/C21H26N2O3/c1-3-20-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(17(15)18(20)22)21(25,13-20)19(24)26-2/h4-5,7-8,18,25H,3,6,9-13H2,1-2H3/t18-,20+,21+/m1/s1

4.3 InChlKey

RXPRRQLKFXBCSJ-GIVPXCGWSA-N

4.4 Canonical SMILES

CCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(C2)(C(=O)OC)O

4.5 lsomeric SMILES

CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4[C@](C2)(C(=O)OC)O

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 26 30 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 1.30754 0.925781 0 0
M  V30 2 C 0.643481 0.592691 0 0
M  V30 3 C 0.000192176 0.964317 0 0
M  V30 4 C 0.54492 1.46949 0 0
M  V30 5 C 0.489595 2.21034 0 0
M  V30 6 C -0.124124 2.629 0 0
M  V30 7 N -0.834092 2.41021 0 0
M  V30 8 C -0.834284 1.44639 0 0
M  V30 9 C -1.66945 0.96465 0 0
M  V30 10 C -2.50393 1.44672 0 0
M  V30 11 C -2.50374 2.41054 0 0
M  V30 12 C -1.66907 2.89228 0 0
M  V30 13 C -3.3391 0.964983 0 0
M  V30 14 C -4.17408 1.44706 0 0
M  V30 15 C -5.00875 0.965315 0 0
M  V30 16 C -5.00894 0.000998219 0 0
M  V30 17 C -4.17446 -0.481076 0 0
M  V30 18 C -3.33929 0.000665479 0 0
M  V30 19 N -1.66965 0.00033274 0 0
M  V30 20 C -0.834669 -0.481742 0 0
M  V30 21 C -0 -0 0 0
M  V30 22 C -0.834736 -1.44546 0 0
M  V30 23 O -1.63906 -1.97631 0 0
M  V30 24 O 0.0271596 -1.8766 0 0
M  V30 25 C 0.0847271 -2.83859 0 0
M  V30 26 O -0.018392 -0.953019 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 3 8
M  V30 4 1 3 21
M  V30 5 1 3 4
M  V30 6 1 4 5
M  V30 7 1 5 6
M  V30 8 1 6 7
M  V30 9 1 7 12
M  V30 10 1 7 8
M  V30 11 1 8 9
M  V30 12 1 9 19
M  V30 13 2 9 10
M  V30 14 1 10 11
M  V30 15 1 10 13
M  V30 16 1 11 12
M  V30 17 1 13 18
M  V30 18 2 13 14
M  V30 19 1 14 15
M  V30 20 2 15 16
M  V30 21 1 16 17
M  V30 22 2 17 18
M  V30 23 1 18 19
M  V30 24 1 19 20
M  V30 25 1 20 21
M  V30 26 1 20 22
M  V30 27 1 20 26
M  V30 28 2 22 23
M  V30 29 1 22 24
M  V30 30 1 24 25
M  V30 END BOND
M  V30 END CTAB
M  END

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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
长春花	Madagascar Periwinkle	Catharanthus roseus
大长春花	Greater Periwinkle	Vinca herbacea [Syn. Vinca major]
蔓长春花	Common Periwinkle	Vinca minor

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7. 相关靶点

基因靶点	靶点位置	参考文献
CASP3	4q35.1	31020375
HMOX1	22q12.3	31020375
NFE2L2	2q31.2	31020375
NFKB1	4q24	31020375

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8. 相关疾病

疾病名称

疾病类型

参考文献

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