839712-25-3 ((Didesmethyl cariprazine)

快速询单

结构式：

Didesmethyl cariprazineMOL文件

CAS号：

839712-25-3

英文名称：

Didesmethyl cariprazine

分子式：

C₁₉H₂₈Cl₂N₄O

分子量：

399.357822418213

简介：

Didesmethyl cariprazine 是 Cariprazine 的代谢物，作为主要的循环活性部分。Didesmethyl cariprazine 的半衰期较长，为 1-3 周。Cariprazine是一种新型抗精神病候选活性分子，能结合 D3, D2 和 5-HT1A 。

API：

Cariprazine

Didesmethyl cariprazine(839712-25-3)名称与标识符

名称

英文别名：

Urea, [trans-4-[2-[4-(2,3-dichlorophenyl)-1-piperazinyl]ethyl]cyclohexyl]-;Didesmethyl cariprazine;6AY300X9G3;N-(trans-4-(2-(4-(2,3-Dichlorophenyl)-1-piperazinyl)ethyl)cyclohexyl)urea;DDCAR;[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]urea;Q27264424;Urea, N-(trans-4-(2-(4-(2,3-dichlorophenyl)-1-piperazinyl)ethyl)cyclohexyl)-;N-[trans-4-[2-[4-(2,3-Dichlorophenyl)-1-piperazinyl]ethyl]cyclohexyl]urea (ACI);Urea, [trans-4-[2-[4-(2,3-dichlorophenyl)-1-piperazinyl]ethyl]cyclohexyl]- (9CI);

标识符

InChIKey：

UMTWXZNVNBBFLC-SHTZXODSSA-N

Inchi：

1S/C19H28Cl2N4O/c20-16-2-1-3-17(18(16)21)25-12-10-24(11-13-25)9-8-14-4-6-15(7-5-14)23-19(22)26/h1-3,14-15H,4-13H2,(H3,22,23,26)/t14-,15-

SMILES：

ClC1C(Cl)=CC=CC=1N1CCN(CC[C@@H]2CC[C@@H](NC(=O)N)CC2)CC1

Didesmethyl cariprazine(839712-25-3)物化性质

计算特性

精确分子量 : 398.1640169 g/mol
氢键供体数量 : 2
氢键受体数量 : 3
可旋转化学键数量 : 5
同位素质量 : 398.1640169 g/mol
重原子数量 : 26
复杂度 : 451
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 3.7
拓扑分子极性表面积 : 61.6
分子量 : 399.4

Didesmethyl cariprazine(839712-25-3)推荐厂家更多厂家(11)

公司名称	手机号/电话	联系人	QQ	询单
深圳菲斯生物科技有限公司	18925202235	周美娇	2850179284	询单
湖北扬信医药科技有限公司	13092795037 0714-3996388	熊磊	3003473323	询单
深圳振强生物技术有限公司	13670046396 86-755-66853366	颜经理	2851296953	询单
北京索莱宝科技有限公司	18101056239 010-50973130	龚思雨	3193328036	询单
上海源叶生物科技有限公司	15026964105 15026964105	汤思磊	2881489226	询单
上海赛可锐生物科技有限公司	13003271654 021-58000709	赛可锐生物	3004122151	询单
上海赛可锐生物科技有限公司	13003271654 021-58000709	赛可锐生物	3004122151	询单
MedChemExpress（MCE 中国）	13611715263 021-58955995	MCE生命科学试剂	2881321772	询单
南兴化工（江苏）有限公司	18651116180 0512-66387035	闵慧萍	3771156959	询单
四川维克奇生物科技有限公司	13348961525	杨洋	2851167780	询单

Didesmethyl cariprazine(839712-25-3)合成路线

合成路线：1 步

791778-53-5

590-28-3

_59%

839712-25-3

反应条件：

1.1 Reagents: Hydrochloric acid Solvents: Tetrahydrofuran , Water ; 3 min, rt; overnight, rt
1.2 Reagents: Sodium bicarbonate Solvents: Water ; rt

参考文献：

Dopamine D3/D2 Receptor Ligands Based on Cariprazine for the Treatment of Psychostimulant Use Disorders That May Be Dual Diagnosed with Affective Disorders

Gogarnoiu, Emma S. ; et al, Journal of Medicinal Chemistry, 2023, 66(3), 1809-1834

合成路线：1 步

506427-91-4

463-72-9

839712-25-3

反应条件：

1.1 Reagents: Hydrochloric acid Solvents: Ethyl acetate
1.2 Reagents: Triethylamine Solvents: Dichloromethane

参考文献：

Discovery of cariprazine (RGH-188): A novel antipsychotic acting on dopamine D3/D2 receptors

Agai-Csongor, Eva; et al, Bioorganic & Medicinal Chemistry Letters, 2012, 22(10), 3437-3440

合成路线：2 步

215790-29-7

41202-77-1

839712-25-3

反应条件：

1.1 Reagents: Sodium triacetoxyborohydride Solvents: Dichloromethane
2.1 Reagents: Hydrochloric acid Solvents: Ethyl acetate
2.2 Reagents: Triethylamine Solvents: Dichloromethane

参考文献：

Discovery of cariprazine (RGH-188): A novel antipsychotic acting on dopamine D3/D2 receptors

Agai-Csongor, Eva; et al, Bioorganic & Medicinal Chemistry Letters, 2012, 22(10), 3437-3440

合成路线：3 步

215790-29-7

41202-77-1

839712-25-3

反应条件：

1.1 Reagents: Acetic acid Solvents: 1,2-Dichloroethane ; 30 min, rt
1.2 Reagents: Sodium triacetoxyborohydride ; overnight, rt
1.3 Reagents: Sodium bicarbonate Solvents: Water ; rt
2.1 Reagents: Trifluoroacetic acid Solvents: Dichloromethane ; 4 h, rt
2.2 Reagents: Sodium hydroxide Solvents: Water ; rt
3.1 Reagents: Hydrochloric acid Solvents: Tetrahydrofuran , Water ; 3 min, rt; overnight, rt
3.2 Reagents: Sodium bicarbonate Solvents: Water ; rt

参考文献：

Dopamine D3/D2 Receptor Ligands Based on Cariprazine for the Treatment of Psychostimulant Use Disorders That May Be Dual Diagnosed with Affective Disorders

Gogarnoiu, Emma S. ; et al, Journal of Medicinal Chemistry, 2023, 66(3), 1809-1834

合成路线：2 步

506427-91-4

839712-25-3

反应条件：

1.1 Reagents: Trifluoroacetic acid Solvents: Dichloromethane ; 4 h, rt
1.2 Reagents: Sodium hydroxide Solvents: Water ; rt
2.1 Reagents: Hydrochloric acid Solvents: Tetrahydrofuran , Water ; 3 min, rt; overnight, rt
2.2 Reagents: Sodium bicarbonate Solvents: Water ; rt

参考文献：

Dopamine D3/D2 Receptor Ligands Based on Cariprazine for the Treatment of Psychostimulant Use Disorders That May Be Dual Diagnosed with Affective Disorders

Gogarnoiu, Emma S. ; et al, Journal of Medicinal Chemistry, 2023, 66(3), 1809-1834

合成路线：4 步

917342-29-1

839712-25-3

反应条件：

1.1 Reagents: Dimethyl sulfoxide , Oxalyl chloride Solvents: Dichloromethane ; 5 min, -78 °C; 30 min, -78 °C
1.2 Solvents: Dichloromethane ; 10 min, -78 °C; 30 min, -78 °C
1.3 Reagents: Triethylamine ; 5 min, -78 °C; -78 °C → rt; 2 h, rt
1.4 Reagents: Hydrochloric acid Solvents: Water ; rt
2.1 Reagents: Acetic acid Solvents: 1,2-Dichloroethane ; 30 min, rt
2.2 Reagents: Sodium triacetoxyborohydride ; overnight, rt
2.3 Reagents: Sodium bicarbonate Solvents: Water ; rt
3.1 Reagents: Trifluoroacetic acid Solvents: Dichloromethane ; 4 h, rt
3.2 Reagents: Sodium hydroxide Solvents: Water ; rt
4.1 Reagents: Hydrochloric acid Solvents: Tetrahydrofuran , Water ; 3 min, rt; overnight, rt
4.2 Reagents: Sodium bicarbonate Solvents: Water ; rt

参考文献：

Dopamine D3/D2 Receptor Ligands Based on Cariprazine for the Treatment of Psychostimulant Use Disorders That May Be Dual Diagnosed with Affective Disorders

Gogarnoiu, Emma S. ; et al, Journal of Medicinal Chemistry, 2023, 66(3), 1809-1834

合成路线：5 步

189153-10-4

839712-25-3

反应条件：

1.1 Reagents: (Dimethyl sulfide)trihydroboron Solvents: Tetrahydrofuran ; 5 min, 0 °C; 0 °C → rt; 15 h, rt; rt → 0 °C
1.2 Reagents: Sodium bicarbonate Solvents: Water
2.1 Reagents: Dimethyl sulfoxide , Oxalyl chloride Solvents: Dichloromethane ; 5 min, -78 °C; 30 min, -78 °C
2.2 Solvents: Dichloromethane ; 10 min, -78 °C; 30 min, -78 °C
2.3 Reagents: Triethylamine ; 5 min, -78 °C; -78 °C → rt; 2 h, rt
2.4 Reagents: Hydrochloric acid Solvents: Water ; rt
3.1 Reagents: Acetic acid Solvents: 1,2-Dichloroethane ; 30 min, rt
3.2 Reagents: Sodium triacetoxyborohydride ; overnight, rt
3.3 Reagents: Sodium bicarbonate Solvents: Water ; rt
4.1 Reagents: Trifluoroacetic acid Solvents: Dichloromethane ; 4 h, rt
4.2 Reagents: Sodium hydroxide Solvents: Water ; rt
5.1 Reagents: Hydrochloric acid Solvents: Tetrahydrofuran , Water ; 3 min, rt; overnight, rt
5.2 Reagents: Sodium bicarbonate Solvents: Water ; rt

参考文献：

Dopamine D3/D2 Receptor Ligands Based on Cariprazine for the Treatment of Psychostimulant Use Disorders That May Be Dual Diagnosed with Affective Disorders

Gogarnoiu, Emma S. ; et al, Journal of Medicinal Chemistry, 2023, 66(3), 1809-1834

81059-04-3(3-[(2-tert-butyl-5-methoxy-1,3-benzothiazol-6-yl)carbamothioylsulfanyl]propanoic acid) 81882-18-0(1-benzofuran-2-ylmethanamine;hydrochloride) 81720-06-1([(1aS,1bα,5aα,6aβ)-2α-(β-D-Glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-1aβ-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-6α-yl]α-D-galactopyranoside) 81840-57-5(（1E）-1-（4-羟基-3-甲氧基苯基）-7-苯基庚-1-烯-3-酮) 819058-89-4(4-(4-氨基苯基)-1H-吲唑-3-胺) 81964-65-0(1-乙酰基-5-溴-1H-吲哚-2,3-二酮) 819-52-3(氯磺酸正丙酯) 81998-03-0(4,4'-二甲基-2,2'-联吡啶1-氧化物)

960化工网为您提供Didesmethyl cariprazine专业化合物百科信息，包括中文名，英文名，分子式，分子量，以及该化合物的CasNo.839712-25-3,相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等。 WAP版:839712-25-3 国际站:839712-25-3

839712-25-3 ((Didesmethyl cariprazine)

Didesmethyl cariprazine(839712-25-3)名称与标识符

名称

标识符

Didesmethyl cariprazine(839712-25-3)物化性质

计算特性

Didesmethyl cariprazine(839712-25-3)推荐厂家 更多厂家(11)

Didesmethyl cariprazine(839712-25-3)合成路线

目录

Didesmethyl cariprazine(839712-25-3)推荐厂家更多厂家(11)