High affinity competitive prolyl-tRNA synthetase inhibitor (Ki= 18.3 nM). Blocks expression of MMP2. Inhibits ECM invasionin vitroand lung metastasis by bladder cancer cells in mice. Inhibits the development of Th17-driven autoimmunity in a mouse model of

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%(HPLC)

Nombres e identificadores

Sonrisas canónicas	C1CC(C(NC1)CC(=O)CN2C=NC3=CC(=C(C=C3C2=O)Cl)Br)O.Br
IUPAC Name	7-bromo-6-chloro-3-[3-[(2S,3R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one;hydrobromide
InChIKey	SJUWEPZBTXEUMU-LDXVYITESA-N
INCHI	1S/C16H17BrClN3O3.BrH/c17-11-6-13-10(5-12(11)18)16(24)21(8-20-13)7-9(22)4-14-15(23)2-1-3-19-14;/h5-6,8,14-15,19,23H,1-4,7H2;1H/t14-,15+;/m0./s1
Isómeros SMILES	C1C[C@H]([C@@H](NC1)CC(=O)CN2C=NC3=CC(=C(C=C3C2=O)Cl)Br)O.Br
Peso molecular	495.59
Reaxy-Rn	8956702
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8956702&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Clase Diazanaphthalenes
    - Subclass Benzodiazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Clase	Diazanaphthalenes
Subclass	Benzodiazines
Intermediate Tree Nodes	Not available
Direct Parent	Quinazolines
Alternative Parents	Pyrimidones Piperidines Aryl bromides Aryl chlorides Benzenoids Beta-amino ketones Heteroaromatic compounds Secondary alcohols 1,2-aminoalcohols Lactams Azacyclic compounds Dialkylamines Hydrobromides Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Organopnictogen compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Quinazoline - Pyrimidone - Piperidine - Pyrimidine - Aryl bromide - Benzenoid - Beta-aminoketone - Aryl halide - Aryl chloride - Heteroaromatic compound - Ketone - 1,2-aminoalcohol - Lactam - Secondary alcohol - Secondary amine - Secondary aliphatic amine - Azacycle - Organic nitrogen compound - Organochloride - Organobromide - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrobromide - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Alcohol - Aromatic heteropolycyclic compound
Descripción	This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Estructura 3D

Objetivos asociados (humanos)

A498 (42825 Activities)

Lot Number	Certificate Type	Fecha	Articulo
K2111171	Certificate of Analysis	Aug 21, 2024	H288889
K2111172	Certificate of Analysis	Aug 21, 2024	H288889
K2111173	Certificate of Analysis	Aug 21, 2024	H288889
K2111174	Certificate of Analysis	Aug 21, 2024	H288889
L2418241	Certificate of Analysis	Aug 21, 2024	H288889

Solubilidad	Solvent:DMSO, Max Conc. mg/mL: 49.56, Max Conc. mM: 100
Peso molecular	495.600 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	494.938 Da
Monoisotopic Mass	492.94 Da
Topological Polar Surface Area	82.000 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	533.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

Halofuginone hydrobromide - ≥98%(HPLC) , CAS No.64924-67-0

Why this grade

Storage & shipping

Quality documents

Literature proof

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

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