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沃替西汀

规格或纯度: ≥98%
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V125545-10mg 10mg 现货 Stock Image
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5-HT1A receptor Agonist 5-HT1B receptor Agonist 5-HT1D receptor Antagonist 5-HT2A receptor Antagonist 5-HT3A Antagonist 5-HT5A receptor Antagonist 5-HT6 receptor Antagonist 5-HT7 receptor Antagonist SERT Inhibitor
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基本描述

规格或纯度 ≥98%
英文名称 Vortioxetine
别名 Lu AA 21004;沃替西汀
英文别名 Lu AA 21004; Vortioxetine;1-[2-(2,4-Dimethylphenylsulfanyl)phenyl]piperazine
储存温度 -20°C储存
运输条件 超低温冰袋运输
产品介绍


Vortioxetine (Lu AA21004) is a multimodal serotonergic agent, inhibits 5-HT1A, 5-HT1B, 5-HT3A, 5-HT7 receptor and SERT with IC50 of 15 nM, 33 nM, 3.7 nM, 19 nM and 1.6 nM, respectively. IC50 Value: 15nM (5-HT1A); 33nM (5-HT1B); 3.7nM(5-HT3A); 19nM (5-HT7); 1.6 nM(SERT) Target: 5-HT receptor

名称和标识符

EC号 823-919-6
IUPAC Name 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine
INCHI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3
InChi Key YQNWZWMKLDQSAC-UHFFFAOYSA-N
Canonical SMILES CC1=CC(=C(C=C1)SC2=CC=CC=C2N3CCNCC3)C
分子式

C18H22N2S
关联CAS 508233-74-7
UNII 3O2K1S3WQV
PubChem CID 9966051
分子量 298.45

化学和物理性质

溶解性 ≥ 14.9 mg/mL in DMSO；≥ 4.31 mg/mL in EtOH with ultrasonic；insoluble in H2O

安全信息

象形图
ghs08

Health Hazard
信号词 Warning
危险声明 H373: Causes damage to organs through prolonged or repeated exposure
H361: Suspected of damaging fertility or the unborn child
H371: May cause damage to organs
预防措施声明 P280,P405,P501,P264,P260,P270,P203,P318,P308+P316,P319

靶标

Target ID 1
名称 5-HT1A receptor
缩写名 SHP2
家族 5-Hydroxytryptamine receptors
别名 5-HT1Dβ
基因和蛋白信息
Species Transmembrane Domains Amino Acids Chromosomal Location Gene Symbol Gene Name
Rat 7 422 2q13 Htr1a 5-hydroxytryptamine receptor 1A
Human 7 422 5q12.3 HTR1A 5-hydroxytryptamine receptor 1A
Mouse 7 421 13 56.92 cM Htr1a 5-hydroxytryptamine (serotonin) receptor 1A
RefSeq Protein NP_036717 (Rn) , NP_000515 (Hs) , NP_032334 (Mm)
UniProtKB P19327 (Rn) , P08908 (Hs) , Q64264 (Mm)
OMIM 109760 (Hs)
RefSeq Nucleotide NM_000524 (Hs) , NM_012585 (Rn) , NM_008308 (Mm)
Entrez Gene 3350 (Hs) , 24473 (Rn) , 15550 (Mm)
Ensembl Gene ENSG00000178394 (Hs) , ENSMUSG00000021721 (Mm) , ENSRNOG00000010254 (Rn)
Protein GI 6981054 (Rn) , 55956923 (Hs) , 31542972 (Mm)
GPCRdb 5ht1a_human (Hs) , 5ht1a_mouse (Mm) , 5ht1a_rat (Rn)
UniProtKB ID/Entry name 5HT1A_HUMAN (Hs) , 5HT1A_MOUSE (Mm) , 5HT1A_RAT (Rn)
DrugBank Target P08908 (Hs)
ChEMBL Target CHEMBL273 (Rn) , CHEMBL3737 (Mm) , CHEMBL214 (Hs)
Target ID 2
名称 5-HT1B receptor
缩写名 SHP2
家族 5-Hydroxytryptamine receptors
别名 5-HT1Dβ
基因和蛋白信息
Species Transmembrane Domains Amino Acids Chromosomal Location Gene Symbol Gene Name
Rat 7 386 8q31 Htr1b 5-hydroxytryptamine receptor 1B
Human 7 390 6q14.1 HTR1B 5-hydroxytryptamine receptor 1B
Mouse 7 386 9 44.61 cM Htr1b 5-hydroxytryptamine (serotonin) receptor 1B
RefSeq Protein NP_071561 (Rn) , NP_000854 (Hs) , NP_034612 (Mm)
UniProtKB P28564 (Rn) , P28222 (Hs) , P28334 (Mm)
OMIM 182131 (Hs)
RefSeq Nucleotide NM_000863 (Hs) , NM_022225 (Rn) , NM_010482 (Mm)
Entrez Gene 3351 (Hs) , 25075 (Rn) , 15551 (Mm)
Ensembl Gene ENSG00000135312 (Hs) , ENSMUSG00000049511 (Mm) , ENSRNOG00000013042 (Rn)
Protein GI 11560016 (Rn) , 6754258 (Mm) , 4504533 (Hs)
GPCRdb 5ht1b_human (Hs) , 5ht1b_mouse (Mm) , 5ht1b_rat (Rn)
UniProtKB ID/Entry name 5HT1B_HUMAN (Hs) , 5HT1B_MOUSE (Mm) , 5HT1B_RAT (Rn)
DrugBank Target P28222 (Hs)
ChEMBL Target CHEMBL3459 (Rn) , CHEMBL1898 (Hs) , CHEMBL3708691 (Mm)
Target ID 3
名称 5-HT1D receptor
缩写名 SHP2
家族 5-Hydroxytryptamine receptors
别名 5-HT1Dβ
基因和蛋白信息
Species Transmembrane Domains Amino Acids Chromosomal Location Gene Symbol Gene Name
Rat 7 374 5q36 Htr1d 5-hydroxytryptamine receptor 1D
Human 7 377 1p36.12 HTR1D 5-hydroxytryptamine receptor 1D
Mouse 7 374 4 68.74 cM Htr1d 5-hydroxytryptamine (serotonin) receptor 1D
RefSeq Protein NP_036984 (Rn) , NP_000855 (Hs) , NP_032335 (Mm)
UniProtKB P28565 (Rn) , P28221 (Hs) , Q61224 (Mm)
OMIM 182133 (Hs)
RefSeq Nucleotide NM_000864 (Hs) , NM_012852 (Rn) , NM_008309 (Mm)
Entrez Gene 3352 (Hs) , 25323 (Rn) , 15552 (Mm)
Ensembl Gene ENSG00000179546 (Hs) , ENSMUSG00000070687 (Mm) , ENSRNOG00000012038 (Rn)
Protein GI 6981056 (Rn) , 4504535 (Hs) , 31542974 (Mm)
GPCRdb 5ht1d_human (Hs) , 5ht1d_mouse (Mm) , 5ht1d_rat (Rn)
UniProtKB ID/Entry name 5HT1D_HUMAN (Hs) , 5HT1D_MOUSE (Mm) , 5HT1D_RAT (Rn)
DrugBank Target P28221 (Hs)
ChEMBL Target CHEMBL1983 (Hs) , CHEMBL5450 (Rn) , CHEMBL4297 (Mm)
Target ID 6
名称 5-HT2A receptor
缩写名 SHP2
家族 5-Hydroxytryptamine receptors
别名 5-HT1Dβ
基因和蛋白信息
Species Transmembrane Domains Amino Acids Chromosomal Location Gene Symbol Gene Name
Rat 7 471 15q11 Htr2a 5-hydroxytryptamine receptor 2A
Human 7 471 13q14.2 HTR2A 5-hydroxytryptamine receptor 2A
Mouse 7 471 14 39.37 cM Htr2a 5-hydroxytryptamine (serotonin) receptor 2A
RefSeq Protein NP_058950 (Rn) , NP_000612 (Hs) , NP_766400 (Mm)
UniProtKB P14842 (Rn) , P28223 (Hs) , P35363 (Mm)
OMIM 182135 (Hs)
RefSeq Nucleotide NM_000621 (Hs) , NM_017254 (Rn) , NM_172812 (Mm)
Entrez Gene 3356 (Hs) , 29595 (Rn) , 15558 (Mm)
Ensembl Gene ENSG00000102468 (Hs) , ENSMUSG00000034997 (Mm) , ENSRNOG00000010063 (Rn)
Protein GI 8393583 (Rn) , 260099679 (Hs) , 27753985 (Mm)
GPCRdb 5ht2a_human (Hs) , 5ht2a_mouse (Mm) , 5ht2a_rat (Rn)
UniProtKB ID/Entry name 5HT2A_HUMAN (Hs) , 5HT2A_MOUSE (Mm) , 5HT2A_RAT (Rn)
DrugBank Target P28223 (Hs)
ChEMBL Target CHEMBL322 (Rn) , CHEMBL224 (Hs) , CHEMBL5377 (Mm)
Target ID 10
名称 5-HT5A receptor
缩写名 SHP2
家族 5-Hydroxytryptamine receptors
别名 5-HT1Dβ
基因和蛋白信息
Species Transmembrane Domains Amino Acids Chromosomal Location Gene Symbol Gene Name
Rat 7 357 4q11 Htr5a 5-hydroxytryptamine receptor 5A
Human 7 357 7q36.2 HTR5A 5-hydroxytryptamine receptor 5A
Mouse 7 357 5 13.24 cM Htr5a 5-hydroxytryptamine (serotonin) receptor 5A
RefSeq Protein NP_037280 (Rn) , NP_076917 (Hs) , NP_032340 (Mm)
UniProtKB P35364 (Rn) , P47898 (Hs) , P30966 (Mm)
OMIM 601305 (Hs)
RefSeq Nucleotide NM_024012 (Hs) , NM_013148 (Rn) , NM_008314 (Mm)
Entrez Gene 3361 (Hs) , 25689 (Rn) , 15563 (Mm)
Ensembl Gene ENSG00000157219 (Hs) , ENSMUSG00000039106 (Mm) , ENSRNOG00000007066 (Rn)
Protein GI 6981062 (Rn) , 84370345 (Mm) , 13236497 (Hs)
GPCRdb 5ht5a_human (Hs) , 5ht5a_mouse (Mm) , 5ht5a_rat (Rn)
UniProtKB ID/Entry name 5HT5A_HUMAN (Hs) , 5HT5A_MOUSE (Mm) , 5HT5A_RAT (Rn)
ChEMBL Target CHEMBL4655 (Rn) , CHEMBL3597 (Mm) , CHEMBL3426 (Hs)
Target ID 11
名称 5-HT6 receptor
缩写名 SHP2
家族 5-Hydroxytryptamine receptors
别名 5-HT1Dβ
基因和蛋白信息
Species Transmembrane Domains Amino Acids Chromosomal Location Gene Symbol Gene Name
Rat 7 436 5q36 Htr6 5-hydroxytryptamine receptor 6
Human 7 440 1p36.13 HTR6 5-hydroxytryptamine receptor 6
Mouse 7 440 4 70.57 cM Htr6 5-hydroxytryptamine (serotonin) receptor 6
RefSeq Protein NP_077341 (Rn) , NP_000862 (Hs) , NP_067333 (Mm)
UniProtKB P31388 (Rn) , P50406 (Hs) , Q9R1C8 (Mm)
OMIM 601109 (Hs)
RefSeq Nucleotide NM_000871 (Hs) , NM_024365 (Rn) , NM_021358 (Mm)
Entrez Gene 3362 (Hs) , 64354 (Rn) , 15565 (Mm)
Ensembl Gene ENSG00000158748 (Hs) , ENSMUSG00000028747 (Mm) , ENSRNOG00000049761 (Rn)
Protein GI 816197606 (Rn) , 10946684 (Mm) , 4504545 (Hs)
GPCRdb 5ht6r_human (Hs) , 5ht6r_mouse (Mm) , 5ht6r_rat (Rn)
UniProtKB ID/Entry name 5HT6R_HUMAN (Hs) , 5HT6R_MOUSE (Mm) , 5HT6R_RAT (Rn)
DrugBank Target P50406 (Hs)
ChEMBL Target CHEMBL1075268 (Mm) , CHEMBL3372 (Rn) , CHEMBL3371 (Hs)
Target ID 12
名称 5-HT7 receptor
缩写名 SHP2
家族 5-Hydroxytryptamine receptors
别名 5-HT1Dβ
基因和蛋白信息
Species Transmembrane Domains Amino Acids Chromosomal Location Gene Symbol Gene Name
Rat 7 448 1q53 Htr7 5-hydroxytryptamine receptor 7
Human 7 479 10q23.31 HTR7 5-hydroxytryptamine receptor 7
Mouse 7 448 19 30.3 cM Htr7 5-hydroxytryptamine (serotonin) receptor 7
RefSeq Protein NP_075227 (Rn) , NP_000863 (Hs) , NP_032341 (Mm)
UniProtKB P32305 (Rn) , P34969 (Hs) , P32304 (Mm)
OMIM 182137 (Hs)
RefSeq Nucleotide NM_000872 (Hs) , NM_022938 (Rn) , NM_008315 (Mm)
Entrez Gene 3363 (Hs) , 65032 (Rn) , 15566 (Mm)
Ensembl Gene ENSG00000148680 (Hs) , ENSMUSG00000024798 (Mm) , ENSRNOG00000018827 (Rn)
Protein GI 113865998 (Mm) , 12621102 (Rn) , 10880131 (Hs)
GPCRdb 5ht7r_human (Hs) , 5ht7r_mouse (Mm) , 5ht7r_rat (Rn)
UniProtKB ID/Entry name 5HT7R_HUMAN (Hs) , 5HT7R_MOUSE (Mm) , 5HT7R_RAT (Rn)
DrugBank Target P34969 (Hs)
ChEMBL Target CHEMBL3155 (Hs) , CHEMBL3223 (Rn) , CHEMBL4764 (Mm)
Target ID 379
名称 5-HT3A
缩写名 SHP2
家族 5-HT3 receptors
Target ID 928
名称 SERT
缩写名 SHP2
家族 Monoamine transporter subfamily
别名 bA517H2.2
基因和蛋白信息
Species Transmembrane Domains Amino Acids Chromosomal Location Gene Symbol Gene Name
Human 12 630 17q11.2 SLC6A4 solute carrier family 6 member 4
Mouse 12 630 11 46.18 cM Slc6a4 solute carrier family 6 (neurotransmitter transporter, serotonin), member 4
Rat 12 630 10q24 Slc6a4 solute carrier family 6 member 4
Ensembl Gene ENSG00000108576 (Hs) , ENSMUSG00000020838 (Mm) , ENSRNOG00000003476 (Rn)
Entrez Gene 15567 (Mm) , 25553 (Rn) , 6532 (Hs)
OMIM 182138 (Hs)
Protein GI 77627875 (Rn) , 4507043 (Hs) , 195972807 (Mm)
UniProtKB P31645 (Hs) , Q60857 (Mm) , P31652 (Rn)
DrugBank Target P31645 (Hs)
Bioparadigms SLC Tables SLC6A4 (Hs)
RESOLUTE SLC6A4 (Hs)
ChEMBL Target CHEMBL313 (Rn) , CHEMBL228 (Hs) , CHEMBL4642 (Mm)

关联配体

Ligand ID 7351
名称 vortioxetine
别名 Brintellix®
类别 Synthetic organic
学名 1-{2-[(2,4-dimethylphenyl)sulfanyl]phenyl}piperazine
生物活性评价 The sulfonamide class of antibacterial compounds are primarily bacteriostatic agents and have a broad spectrum of activity against both Gram-positive and Gram-negative species of bacteria (reviewed in ).
评价 Vortioxetine is a novel atypical antidepressant.

参考文献

1. Bang-Andersen B, Ruhland T, J?rgensen M, Smith G, Frederiksen K, Jensen KG, Zhong H, Nielsen SM, Hogg S, M?rk A et al..  (2011)  Discovery of 1-[2-(2,4-dimethylphenylsulfanyl)phenyl]piperazine (Lu AA21004): a novel multimodal compound for the treatment of major depressive disorder..  J Med Chem,  54  (9):  (3206-21).  [PMID:21486038]
2. Talmon M, Rossi S, Pastore A, Cattaneo CI, Brunelleschi S, Fresu LG.  (2018)  Vortioxetine exerts anti-inflammatory and immunomodulatory effects on human monocytes/macrophages..  Br J Pharmacol,  175  (1):  (113-124).  [PMID:29057467]

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