RO-0505376

HCID 9806910

基本情報

CAS
343981-29-3
標準SMILES
Cc1cc(C(F)(F)F)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)O)cc2)c(=O)n1C
InChIKey
IBAZQIKVHCLTHH-SFHVURJKSA-N
分子式
C24H19Cl2F3N2O4
平均分子量
527.3 g/mol
単同位体質量
526.06739711

概要

N-(2,6-dichlorobenzoyl)-4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-L-phenylalanine is an L-phenylalanine derivative that is N-(2,6-dichlorobenzoyl)-L-phenylalanine carrying an additional 1,6-dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl substituent at position 4 on the phenyl ring. It is a N-acyl-L-amino acid, an organofluorine compound, a pyridone and a L-phenylalanine derivative.

名称と識別子

優先名称
RO-0505376
IUPAC
(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]phenyl]propanoic acid
英語名
L-Phenylalanine, N-(2,6-dichlorobenzoyl)-4-[1,2-dihydro-1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]-
分子式
C24H19Cl2F3N2O4
分子量
527.32

名称と別名

UHG8ON73DXUNII-UHG8ON73DX343981-29-3N-(2,6-Dichlorobenzoyl)-4-[1,6-Dimethyl-2-Oxo-4-(Trifluoromethyl)-1,2-Dihydropyridin-3-Yl]-L-PhenylalanineRO-0505376CHEBI:90591L-Phenylalanine, N-(2,6-dichlorobenzoyl)-4-(1,2-dihydro-1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl)-N-(2,6-Dichlorobenzoyl)-4-(1,6-dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl)-L-phenylalanineRefChem:202873RO0505376RO 0505376CHEMBL2332742
名称をさらに表示
L-Phenylalanine, N-(2,6-dichlorobenzoyl)-4-[1,2-dihydro-1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]-
(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)pyridin-3-yl]phenyl]propanoic acidorb2815320SCHEMBL6234813DTXSID501352279GLXC-27141BDBM50428926T202390Q27162615

データベース識別子

CAS
343981-29-3
PubChem CID
9806910
DTXSID
DTXSID501352279
ChEMBL
CHEMBL2332742
ChEBI
CHEBI:90591
UNII
UHG8ON73DX

物性

構造計算による物性

XLogP
5
極性表面積
86.7 Ų
水素結合供与体数
2
水素結合受容体数
7
回転可能結合数
6
重原子数
35

物理化学的性質

沸点
655.7 · 655.7±55.0 °C(Predicted)
比重(密度)
1.445 · 1.445±0.06 g/cm3(Predicted)
酸解離定数(Pka)
3.54 · 3.54±0.10(Predicted)

化学と産業

サプライヤー1 社

TargetMol 中国(陶术生物)400-821-0310 15002144251 · [email protected]

関連反応

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化合物ノート

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