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Product details

名称

LY3154207

分子类型

小分子

英文别名

4A3702A96F | 1638667-79-4 | A-5440 | AKOS040733644 | compound 3 [PMID: 31532644] | GTPL10506 | Q410712 | UNII-4A3702A96F | XHCSBQBBGNQINS-DOTOQJQBSA-N | AT24876 | Ethanone, 2-(2,6-dichlorophenyl)-1-((1S,3R)-3,4-dihydro-3-(hydroxymethyl)-5-(3-hydroxy-3-met

英文名称

LY3154207

货号

L651647-5mg

包装规格

5mg

浓度

≥99%

储存温度

-20°C储存

运输条件

超低温冰袋运输

产品介绍

LY3154207 is a potent, subtype selective, and orally available human dopamine D1 receptor positive allosteric modulator (PAM) with minimal allosteric agonist activity ( EC 50 =3 nM) In Vitro In HEK293 cells transiently expressing human, dog, rhesus monkey, and mouse D1 receptors, the EC 50 s of LY3154207 are 2.3 nM, 2.0 nM, 2.5 nM, and 62.1 nM, respectively. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid IC50& Target:EC50: 3 nM (human dopamine D1 receptor)

生化机理

LY3154207 是一种强效的亚型选择性口服人多巴胺 D1 受体正性异位调节剂（PAM），具有最小异位激动剂活性（EC 50 =3 nM）。

CAS号

1638667-79-4

分子式

C24H29Cl2NO3

分子量

450.40 g/mol

PubChem编号

86290953

Isomeric SMILES

C[C@H]1C2=CC=CC(=C2C[C@@H](N1C(=O)CC3=C(C=CC=C3Cl)Cl)CO)CCC(C)(C)O

IIUPAC Name

2-(2,6-dichlorophenyl)-1-[(1S,3R)-3-(hydroxymethyl)-5-(3-hydroxy-3-methylbutyl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone

INCHI

1S/C24H29Cl2NO3/c1-15-18-7-4-6-16(10-11-24(2,3)30)19(18)12-17(14-28)27(15)23(29)13-20-21(25)8-5-9-22(20)26/h4-9,15,17,28,30H,10-14H2,1-3H3/t15-,17+/m0/s1

InChi Key

XHCSBQBBGNQINS-DOTOQJQBSA-N

Smiles

CC1C2=CC=CC(=C2CC(N1C(=O)CC3=C(C=CC=C3Cl)Cl)CO)CCC(C)(C)O

PubChem CID

86290953

关联CAS

1638667-79-4

MeSH Entry Terms

2-(2,6-Dichlorophenyl)-1-((1 S,3 R)-5-(3-hydroxy-3-methylbutyl)-3-(hydroxymethyl)-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one;LY3154207;Mevidalen

溶解性

DMSO : 110 mg/mL (244.23 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

449.152 Da

单同位素质量Monoisotopic Mass

449.152 Da

拓扑极表面积Topological Polar Surface Area

60.800 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

577.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

4.400

ALogP

4.4

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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