Halofuginone, (-)-

HCID 400772CAS 55837-20-2

基本情報

標準SMILES: O=C(C[C@@H]1NCCC[C@H]1O)Cn1cnc2cc(Br)c(Cl)cc2c1=O
InChIKey: LVASCWIMLIKXLA-LSDHHAIUSA-N
分子式: C16H17BrClN3O3
平均分子量: 414.7 g/mol
単同位体質量: 413.01418118

名称と識別子

優先名称: Halofuginone, (-)-
IUPAC: 7-bromo-6-chloro-3-[3-[(2S,3R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one

名称と別名

(-)-Halofuginone7695-84-3Halofuginone, (-)-6-Chloro-7-bromofebrifugineNVY6A324PU7-Bromo-6-chloro-3-(3-((2S,3R)-3-hydroxy-2-piperidinyl)-2-oxopropyl)-4(3H)-quinazolinoneDTXSID301339439RefChem:922712DTXCID4017690557-bromo-6-chloro-3-(3-((2S,3R)-3-hydroxypiperidin-2-yl)-2-oxopropyl)quinazolin-4(3H)-one7-bromo-6-chloro-3-(3-((2S,3R)-3-hydroxypiperidin-2-yl)-2-oxopropyl)quinazolin-4(3H)-one.7-bromo-6-chloro-3-[3-[(2S,3R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one

名称をさらに表示

7-bromo-6-chloro-3-{3-[(2S,3R)-3-hydroxypiperidin-2-yl]-2-oxopropyl}-3,4-dihydroquinazolin-4-oneHalofuginone (INN)4(3H)-Quinazolinone, 7-bromo-6-chloro-3-(3-((2S,3R)-3-hydroxy-2-piperidinyl)-2-oxopropyl)-MFCD098341434(3H)-Quinazolinone, 7-bromo-6-chloro-3-[3-[(2S,3R)-3-hydroxy-2-piperidinyl]-2-oxopropyl]-7-Bromo-6-chloro-3-{3-[(2S,3R)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-oneUNII-NVY6A324PUHalocur [veterinary] (TN)

データベース識別子

CAS: 55837-20-2、7695-84-3
PubChem CID: 400772
DTXSID: DTXSID0048260
ChEMBL: CHEMBL1199539
UNII: NVY6A324PU
Nikkaji: J238.338A

物性

構造計算による物性

XLogP: 1.4
極性表面積: 82 Å²
水素結合供与体数: 2
水素結合受容体数: 5
回転可能結合数: 4
重原子数: 24
形式電荷: 0
複雑度: 533

実験および物理化学的性質

Animal Drugs · 2 件

Pharmaceuticals -> UK Veterinary Medicines Directorate List

Pharmaceuticals -> Animal Drugs -> Approved in Taiwan

化学と産業

薬理情報

MeSH Pharmacological Classification · 4 件

Substances that inhibit or prevent the proliferation of NEOPLASMS.

Agents useful in the treatment or prevention of COCCIDIOSIS in man or animals.

Compounds which inhibit the synthesis of proteins. They are usually ANTI-BACTERIAL AGENTS or toxins. Mechanism of the action of inhibition includes the interruption of peptide-chain elongation, the blocking the A site of ribosomes, the misreading of the genetic code or the prevention of the attachment of oligosaccharide side chains to glycoproteins.

Agents and endogenous substances that antagonize or inhibit the development of new blood vessels.

用途と製造

Use ClassificationPharmaceuticals -> Animal Drugs -> Approved in Taiwan