简介名称和标识符别名信息物化性质安全信息相关文献专业数据库参考相关分类

Capsazepine | 138977-28-3

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中文名称： Capsazepine

英文名称： Capsazepine

CAS No.： 138977-28-3

分子式： C₁₉H₂₁ClN₂O₂S

分子量： 376.9002

如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击：Capsazepine结构式

MSDS： CapsazepineMSDS

PubChem CID： 24277967

价格行情： Capsazepine价格

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简介

Capsazepine是感觉神经元兴奋毒素的合成类似物，和TRPV1 受体拮抗剂，其中IC50 为562 nM。

名称和标识符

MDL	MFCD00153778
InChIKey	DRCMAZOSEIMCHM-UHFFFAOYSA-N
Inchi	1S/C19H21ClN2O2S/c20-16-5-3-13(4-6-16)7-8-21-19(25)22-9-1-2-14-10-17(23)18(24)11-15(14)12-22/h3-6,10-11,23-24H,1-2,7-9,12H2,(H,21,25)
SMILES	ClC1C([H])=C([H])C(=C([H])C=1[H])C([H])([H])C([H])([H])N([H])C(N1C([H])([H])C2=C([H])C(=C(C([H])=C2C([H])([H])C([H])([H])C1([H])[H])O[H])O[H])=S

别名信息

- 中文别名 -

抗辣椒碱
辣椒平
辣椒素受体阻滞剂辣椒平

- 英文别名 -

2H-2-Benzazepine-2-carbothioamide,N-[2-(4-chlorophenyl)ethyl]-1,3,4,5-tetrahydro-7,8-dihydroxy-
Capsazepine
N-[2-(4-Chlorophenyl)ethyl]-1,3,4,5-tetrahydro-7,8-dihydroxy-2H-2-benzazepine-2-carbothioamide
N-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide
capsazepin

LFW48MY844
ST50826300
N-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2H-2-benzazepine-2-carbothioamide
N-(2-[4-chlorophenyl]ethyl)-1,3,4,5-tetrahydro-7,8-dihydroxy-2H-2-benzazepine-2-carbothioamide
2-[2-(4-chlo
A857043
HMS1791N12
MFCD00153778
Bio2_000270
GTPL2461
NCGC00015190-01
LP00373
DRCMAZOSEIMCHM-UHFFFAOYSA-N
KBioGR_000270
NCGC00015190-05
N-[2-(4-Chlorophenyl)ethyl]-1,3,4,5-tetrahydro-
HMS3886D06
NCGC00024602-03
UNII-LFW48MY844
KBio2_002838
C19H21ClN2O2S
N-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-2,3,4,5-tetrahydro-1H-2-benzazepine-2-carbothioamide
AKOS024458271
2H-2-Benzazepine-2-carbothioamide, N-[2-(4-chlorophenyl)ethyl]-1,3,4,5-tetrahydro-7,8-dihydroxy-
BDBM20284
Bio1_000883
Lopac-C-191
Capsazepine, >=98% (HPLC), solid
SDCCGSBI-0050361.P002
BSPBio_001550
J-007205
Q5036336
HMS3372M06
BRD-K44849676-001-03-0
EX-A7842E
HMS2230F13
NCGC00024602-04
2-[2-(4-chlorophenyl)ethylamino-thiocarbonyl]-7,8-dihydroxy-2,3,4,5-tetrahydro-1H-2-benzazepine
SR-01000075437
HMS1989N12
SR-01000075437-7
HMS3748G07
FT-0664232
NK101
Bio1_001372
HMS1361N12
AS-74621
NCGC00015190-06
IDI1_034020
7,8-dihydroxy-2H-2-benzazepine-2-carbothioamide
HB1040
NCGC00015190-04
EU-0100373
138977-28-3
CS-1572
NCGC00024602-02
CHEBI:70773
SR-01000075437-3
Bio2_000750
NCGC00015190-14
2-[[2-(4-Chlorophenyl)ethylamino]thiocarbonyl]-2,3,4,5-tetrahydro-1H-2-benzazepine-7,8-diol
HMS3411O03
BCP12782
HMS3261K07
6ET
SR-01000075437-1
HMS3650G17
NCGC00015190-03
HMS3675O03
NCGC00261058-01
Bio1_000394
NCGC00015190-02
CHEMBL391997
KBio2_000270
Lopac0_000373
MLS002153524
KBio3_000539
CCG-204468
NCGC00024602-01
N-(4-chlorophenethyl)-7,8-dihydroxy-4,5-dihydro-1H-benzo[c]azepine-2(3H)-carbothioamide
HMS3402N12
Capsazepine - CAS 138977-28-3
KBio3_000540
Tocris-0464
DTXSID20160852
HMS3266C14
NCGC00015190-07
s8137
capasazepine
SMR001230854
SCHEMBL122421
KBio2_005406
KBioSS_000270
N-(2-(4-chlorophenyl)ethyl)-1,3,4,5-tetrahydro-7,8-dihydroxy-2H-2-Benzazepine-2-carbothioamide
Tox21_500373
HY-15640
C-191
capsazepine
Capasazepine?

物化性质

实验特性

LogP	3.94540
PSA	87.82000
折射率	1.67
沸点	581.1°C at 760 mmHg
熔点	155-157°C
蒸气压	0.0±1.7 mmHg at 25°C
闪点	305.3ºC
溶解度	methanol: soluble
颜色与性状	白色固体
溶解性	可溶于水甲醇
密度	1.3500

计算特性

精确分子量	376.10100
氢键供体数量	3
氢键受体数量	3
可旋转化学键数量	3
同位素质量	376.101
重原子数量	25
复杂度	445
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）	3.9
互变异构体数量	70
表面电荷	0
拓扑分子极性表面积	87.8

安全信息

WGK Germany	3
安全术语	6.1(a)
安全说明	S22; S24/25; S36; S26
包装等级	II
风险术语	R20/21/22
危险品标志	Xn
危险品运输编号	2811
危害声明	H302-H315-H319-H335
警示性声明	P261-P305+P351+P338
储存条件	Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
PackingGroup	II
危险类别码	20/21/22-36/37/38
信号词	Warning
HazardClass	6.1(a)

相关文献

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2. Capsaicin presynaptically inhibits glutamate release through the activation of TRPV1 and calcineurin in the hippocampus of rats
Cheng Wei Lu,Tzu Yu Lin,Ting Yang Hsie,Shu Kuei Huang,Su Jane Wang Food Funct. 2017 8 1859
3. Capsaicin inhibits the metastasis of human papillary thyroid carcinoma BCPAP cells through the modulation of the TRPV1 channel
Shichen Xu,Li Zhang,Xian Cheng,Huixin Yu,Jiandong Bao,Rongrong Lu Food Funct. 2018 9 344
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10. Synthesis, photolysis studies and in vitro photorelease of caged TRPV1 agonists and antagonists
Michael P. Van Ryssen,Nicolaos Avlonitis,Rashid Giniatullin,Craig McDougall,James L. Carr,Megan N. Stanton-Humphreys,Emma L. A. Borgstr?m,C. Tom A. Brown,Dmitriy Fayuk,Alexander Surin,Minna Niittykoski,Leonard Khiroug,Stuart J. Conway Org. Biomol. Chem. 2009 7 4695

专业数据库参考

PubChemId	24277967

Capsazepine | 138977-28-3

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