Halofuginone - Moligand™, 10mM in DMSO , CAS No.55837-20-2

CAS: 55837-20-2 Cat. No.: H424746 분자식: C16H17BrClN3O3 분자량: 414.68
주문 가능
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
Synonyms
SCHEMBL25596 | 7-Bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxy-2-piperidyl]-2-oxopropyl]-4(3H)-Quinazolinone | AMY39119 | DTXSID0048260 | SCHEMBL20385 | Halofuginone | 4(3H)-Quinazolinone, 7-bromo-6-chloro-3-[3-[(2S,3R)-3-hydroxy-2-piperidinyl]-2-oxopropyl]- | 6
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
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Size
USA
독일 (EU)*
Price
Qty
1ml
H424746-1ml
1 재고 있음
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US$158.90
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Why this grade

Moligand™, 10mM in DMSO Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

개요

Information

Halofuginone Halofuginone (RU-19110) is the competitively inhibitor of prolyl-tRNA synthetase with Ki of 18.3 nM.It could also down-regulate Smad3 and blocked TGF-β signaling at 10 ng/ml in mammal.

Targets

Smad3 ; prolyl-tRNA synthetase (Cell-free assay) ; 18.3nM(Ki)

In vitro

In mammals, halofuginone at 10 ng/ml down-regulates Smad3, blocking TGF-β signaling and preventing both the differentiation of fibroblasts to myofibroblasts and the transitioning of epithelial cells to mesenchymal cells.

In vivo

Halofuginone clearly extends the survival times of the parasite-infected mice. Oral treatment with halofuginone at doses of 0.2 and 1 mg/kg has an apparent curative effect for the infected mice.The subcutaneous administration of 0.2 mg of halofuginone per kg likewise extends the survival times of the infected mice, but none of the mice is cured. The mice in the 5-mg/kg dose groups die before the completion of treatment with the drug either orally or subcutaneously. Subcutaneous treatment with halofuginone appears to be more toxic to mice than oral treatment.

Cell Research(from reference)

Cell lines:primary murine CD4+ CD25− T cells/MEFs 

Concentrations:5-20nM 

Incubation Time:4 or 24hrs 

Specifications

동의어
SCHEMBL25596 | 7-Bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxy-2-piperidyl]-2-oxopropyl]-4(3H)-Quinazolinone | AMY39119 | DTXSID0048260 | SCHEMBL20385 | Halofuginone | 4(3H)-Quinazolinone, 7-bromo-6-chloro-3-[3-[(2S,3R)-3-hydroxy-2-piperidinyl]-2-oxopropyl]- | 6
사양 및 순도
Moligand™, 10mM in DMSO
생화학 및 생리적 메커니즘
Halofuginone (RU-19110) is the competitively inhibitor of prolyl-tRNA synthetase with Ki of 18.3 nM.It could also down-regulate Smad3 and blocked TGF-β signaling at 10 ng/ml in mammal.
보관 조건
Store at -80°C
배송
Dry ice packs + Cold packs
이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.
등급
Moligand™
제품 특성
ALogP1.648
hba_count3
HBD 수2
회전 가능한 결합4
이름과 식별자
Pubchem Sid528771657
정식 스마일C1CC(C(NC1)CC(=O)CN2C=NC3=CC(=C(C=C3C2=O)Cl)Br)O
IUPAC Name7-bromo-6-chloro-3-[3-[(2S,3R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one
InChIKeyLVASCWIMLIKXLA-LSDHHAIUSA-N
INCHI1S/C16H17BrClN3O3/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/t14-,15+/m0/s1
이성체 SMILES C1C[C@H]([C@@H](NC1)CC(=O)CN2C=NC3=CC(=C(C=C3C2=O)Cl)Br)O
분자량 414.68
Reaxy-Rn 840969
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=840969&ln=

Documentation

📋 Safety Data Sheet (SDS)

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

Download SDS →

✅ Certificate of Analysis (COA)

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

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
분류Diazanaphthalenes
SubclassBenzodiazines
Intermediate Tree Nodes Not available
Direct ParentQuinazolines
Alternative Parents Pyrimidones  Piperidines  Aryl bromides  Aryl chlorides  Benzenoids  Beta-amino ketones  Heteroaromatic compounds  Secondary alcohols  1,2-aminoalcohols  Lactams  Azacyclic compounds  Dialkylamines  Hydrocarbon derivatives  Organic oxides  Organobromides  Organochlorides  Organopnictogen compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Quinazoline - Pyrimidone - Aryl bromide - Aryl chloride - Aryl halide - Beta-aminoketone - Benzenoid - Pyrimidine - Piperidine - Heteroaromatic compound - 1,2-aminoalcohol - Ketone - Lactam - Secondary alcohol - Secondary aliphatic amine - Azacycle - Secondary amine - Organobromide - Organohalogen compound - Amine - Alcohol - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
설명This 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
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
관련 대상(비인간)
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
작용 메커니즘
인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

1 results found

Lot NumberCertificate Type날짜항목
J2211392Certificate of AnalysisMay 11, 2026 H424746
화학 및 물리적 특성
DMSO(mg/mL) 최대 용해도20
DMSO(mM) 최대 용해도48.22996045
물(mg/mL) 최대 용해도<1
분자량414.700 g/mol
XLogP31.400
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass413.014 Da
Monoisotopic Mass413.014 Da
Topological Polar Surface Area82.000 Ų
Heavy Atom Count24
Formal Charge0
Complexity533.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
참고 문헌
1. Hu Bo, Deng Yuping, Lu Tao, Ren Miaomiao, Liu Kuitun, Rao Cong, Guo Hailiang, Su Jianya.  (2025)  Inhibition of transcriptional regulation of detoxification genes contributes to insecticide resistance management in Spodoptera exigua.  Communications Biology,  8  (1): (1-13).  [PMID:39870807] [10.1038/s42003-025-07560-8]
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