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阿塞那平

规格或纯度: ≥96%
  • CAS编号: 65576-45-6
  • 分子式: C17H16ClNO
  • 分子量: 285.77
  • PubChem编号: 163091
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货号 (SKU) 包装规格 是否现货 价格 数量
A127318-25mg 25mg 期货 Stock Image
A127318-100mg 100mg 期货 Stock Image
A127318-1g 1g 期货 Stock Image
大包装询价 添加到收藏夹 比较
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5-HT1A receptor Agonist 5-HT1B receptor Agonist 5-HT1D receptor Agonist 5-ht1e receptor Agonist 5-HT2A receptor Antagonist D2 receptor Antagonist H1 receptor Antagonist
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基本描述

规格或纯度 ≥96%
英文名称 Asenapine
别名 阿塞那平
英文别名 Saphris;Org 5222;Org-5222;Org5222; trans-5-Chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrole
生化机理

Asenapine is a new atypical antipsychotic developed for the treatment of schizophrenia and acute mania associated with bipolar disorder. Asenapine shows high affinity (pKi) for numerous receptors, including the serotonin 5-HT1A (8.6), 5-HT1B (8.4), 5-HT2A (10.2), 5-HT2B (9.8), 5-HT2C (10.5), 5-HT5A (8.8), 5-HT6 (9.5), and 5-HT7 (9.9) receptors, the adrenergic α1 (8.9), α2A (8.9), α2B (9.5), and α2C (8.9) receptors, the dopamine D1 (8.9), D2 (8.9), D3 (9.4), and D4 (9.0) receptors, and the histamine H1 (9.0) and H2 (8.2) receptors. Asenapine behaves as an antagonist at all receptors.

储存温度 -20°C储存
运输条件 超低温冰袋运输
产品介绍

Asenapine(Org 5222)能抑制肾上腺素受体，对α1，α2A，α2B和α2C的Ki为0.25-1.2 nM，还能抑制 5-HT受体，对1A，1B，2A，2B，2C，5A，6和7的Ki为0.03-4.0 nM。

Asenapine(Org 5222) inhibits adrenergic receptor (α1, α2A, α2B, α2C) with Ki of 0.25-1.2 nM and also inhibits 5-HT receptor (1A, 1B, 2A, 2B, 2C, 5A, 6, 7) with Ki of 0.03-4.0 nM.

名称和标识符

IUPAC Name (2S,6S)-9-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene
INCHI InChI=1S/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/t14-,15-/m1/s1
InChi Key VSWBSWWIRNCQIJ-HUUCEWRRSA-N
Canonical SMILES CN1CC2C(C1)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24
分子式

C17H16ClNO
PubChem CID 163091
分子量 285.77

化学和物理性质

溶解性 DMSO : 50 mg/mL (174.97 mM; Need ultrasonic) H2O : < 0.1 mg/mL (insoluble)

安全信息

象形图
ghs06

Toxic

ghs08

Health Hazard

ghs09

Environmental Hazard

ghs07

Harmful
信号词 Danger
危险声明 H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
H301: Toxic if swallowed
H331: Toxic if inhaled
H400: Very toxic to aquatic life
H410: Very toxic to aquatic life with long lasting effects
H372: Causes damage to organs through prolonged or repeated exposure
H370: Causes damage to organs
H361: Suspected of damaging fertility or the unborn child
预防措施声明 P261,P305+P351+P338,P273,P280,P302+P352,P321,P405,P501,P264,P260,P271,P270,P304+P340,P403+P233,P362+P364,P391,P330,P203,P264+P265,P301+P316,P318,P337+P317,P308+P316,P332+P317,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 4
名称 5-ht1e 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
Human 7 365 6q14.3 HTR1E 5-hydroxytryptamine receptor 1E
RefSeq Protein NP_000856 (Hs)
UniProtKB P28566 (Hs)
OMIM 182132 (Hs)
RefSeq Nucleotide NM_000865 (Hs)
Entrez Gene 3354 (Hs)
Ensembl Gene ENSG00000168830 (Hs)
Protein GI 4504537 (Hs)
GPCRdb 5ht1e_human (Hs)
UniProtKB ID/Entry name 5HT1E_HUMAN (Hs)
ChEMBL Target CHEMBL2182 (Hs)
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 215
名称 D2 receptor
缩写名 SHP2
家族 Dopamine receptors
别名 m5
基因和蛋白信息
Species Transmembrane Domains Amino Acids Chromosomal Location Gene Symbol Gene Name
Rat 7 444 8q23 Drd2 dopamine receptor D2
Human 7 443 11q23.2 DRD2 dopamine receptor D2
Mouse 7 444 9 26.72 cM Drd2 dopamine receptor D2
RefSeq Protein NP_036679 (Rn) , NP_000786 (Hs) , NP_034207 (Mm)
UniProtKB P61169 (Rn) , P14416 (Hs) , P61168 (Mm)
OMIM 126450 (Hs)
RefSeq Nucleotide NM_000795 (Hs) , NM_012547 (Rn) , NM_010077 (Mm)
Entrez Gene 1813 (Hs) , 24318 (Rn) , 13489 (Mm)
Ensembl Gene ENSG00000149295 (Hs) , ENSMUSG00000032259 (Mm) , ENSRNOG00000008428 (Rn)
Orphanet 121177 (Hs)
Protein GI 6978777 (Rn) , 148747212 (Mm) , 17986270 (Hs)
GPCRdb drd2_human (Hs) , drd2_mouse (Mm) , drd2_rat (Rn)
UniProtKB ID/Entry name DRD2_HUMAN (Hs) , DRD2_MOUSE (Mm) , DRD2_RAT (Rn)
DrugBank Target P14416 (Hs)
ChEMBL Target CHEMBL217 (Hs) , CHEMBL3427 (Mm) , CHEMBL339 (Rn)
Target ID 262
名称 H1 receptor
缩写名 SHP2
家族 Histamine receptors
别名 α2-C2
基因和蛋白信息
Species Transmembrane Domains Amino Acids Chromosomal Location Gene Symbol Gene Name
Rat 7 486 4q42 Hrh1 histamine receptor H 1
Human 7 487 3p25.3 HRH1 histamine receptor H1
Mouse 7 488 6 53.05 cM Hrh1 histamine receptor H1
RefSeq Protein NP_058714 (Rn) , NP_000852 (Hs) , NP_032311 (Mm)
UniProtKB P31390 (Rn) , P35367 (Hs) , P70174 (Mm)
OMIM 600167 (Hs)
RefSeq Nucleotide NM_000861 (Hs) , NM_017018 (Rn) , NM_008285 (Mm)
Entrez Gene 3269 (Hs) , 24448 (Rn) , 15465 (Mm)
Ensembl Gene ENSG00000196639 (Hs) , ENSMUSG00000053004 (Mm) , ENSRNOG00000007420 (Rn)
Protein GI 8393564 (Rn) , 358001084 (Mm) , 149158709 (Hs)
GPCRdb hrh1_human (Hs) , hrh1_mouse (Mm) , hrh1_rat (Rn)
UniProtKB ID/Entry name HRH1_HUMAN (Hs) , HRH1_MOUSE (Mm) , HRH1_RAT (Rn)
DrugBank Target P35367 (Hs)
ChEMBL Target CHEMBL4322 (Mm) , CHEMBL4701 (Rn) , CHEMBL231 (Hs)

关联配体

Ligand ID 22
名称 asenapine
别名 ORG-5222
类别 Synthetic organic
学名 (2S,6S)-9-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.0^{2,6}.0^{7,12}]octadeca-1(18),7,9,11,14,16-hexaene
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 Asenapine is an atypical antipsychotic. The drug is an enantiomeric mixture, and we show one enantioner here. Alternative enantiomers include CHEMBL1201756.
Marketed formulations may contain asenapine maleate (PubChem CID 6917875).

参考文献

1. Shahid M, Walker GB, Zorn SH, Wong EH.  (2009)  Asenapine: a novel psychopharmacologic agent with a unique human receptor signature..  J Psychopharmacol (Oxford),  23  (1):  (65-73).  [PMID:18308814]
2. Meltzer HY, Li Z, Kaneda Y, Ichikawa J.  (2003)  Serotonin receptors: their key role in drugs to treat schizophrenia..  Prog Neuropsychopharmacol Biol Psychiatry,  27  (7):  (1159-72).  [PMID:14642974]
3. Reynolds GP, Yao Z, Zhang X, Sun J, Zhang Z.  (2005)  Pharmacogenetics of treatment in first-episode schizophrenia: D3 and 5-HT2C receptor polymorphisms separately associate with positive and negative symptom response..  Eur Neuropsychopharmacol,  15  (2):  (143-51).  [PMID:15695058]
4. Lieberman JA, Mailman RB, Duncan G, Sikich L, Chakos M, Nichols DE, Kraus JE.  (1998)  Serotonergic basis of antipsychotic drug effects in schizophrenia..  Biol Psychiatry,  44  (11):  (1099-117).  [PMID:9836014]

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