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名称

Elinzanetant, 神经激肽 3 受体拮抗剂

分子类型

小分子

别名

艾林扎奈坦

英文别名

Elinzanetant | HY-109171 | ELINZANETANT [WHO-DD] | NZW2BOW35N | WHO 10952 | BAY3427080 | Benzamide, 3-(5-methyl-2-tbenzeneacetamide, N-(4-(4-fluoro-2-methylphenyl)-6-((7S,9aS)-hexahydro-7-(hydroxymethyl)pyrazino(2,1-C)(1,4)oxazin-8(1H)-yl)-3-pyridinyl)-N,

英文名称

Elinzanetant

货号

E650387-5mg

包装规格

5mg

浓度

≥98%

储存温度

-20°C储存

运输条件

超低温冰袋运输

产品介绍

Elinzanetant is a neurokinin receptors antagonist used for the research of Schizophrenia. Form:Solid

生化机理

Elinzanetant 是一种神经激肽受体拮抗剂，用于研究精神分裂症。

CAS号

929046-33-3

分子式

C33H35F7N4O3

分子量

668.64 g/mol

PubChem编号

16063568

Isomeric SMILES

CC1=C(C=CC(=C1)F)C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4C[C@H]5COCCN5C[C@H]4CO

IIUPAC Name

N-[6-[(7S,9aS)-7-(hydroxymethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-4-(4-fluoro-2-methylphenyl)pyridin-3-yl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide

INCHI

1S/C33H35F7N4O3/c1-19-9-23(34)5-6-26(19)27-13-29(44-16-25-18-47-8-7-43(25)15-24(44)17-45)41-14-28(27)42(4)30(46)31(2,3)20-10-21(32(35,36)37)12-22(11-20)33(38,39)40/h5-6,9-14,24-25,45H,7-8,15-18H2,1-4H3/t24-,25-/m0/s1

InChi Key

DWRIJNIPBUFCQS-DQEYMECFSA-N

Smiles

CC1=C(C=CC(=C1)F)C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4C[C@H]5COCCN5C[C@H]4CO

PubChem CID

16063568

溶解性

DMSO : 100 mg/mL (149.56 mM; Need ultrasonic)

氢键供体数Hydrogen Bond Donor Count

氢键受体数Hydrogen Bond Acceptor Count

可旋转键计数Rotatable Bond Count

精确质量Exact Mass

668.26 Da

单同位素质量Monoisotopic Mass

668.26 Da

拓扑极表面积Topological Polar Surface Area

69.100 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

1060.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

5.900

ALogP

5.9

作用类型

拮抗剂

作用机制

神经激肽 3 受体拮抗剂

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

user reviews

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