IPR-803 - ≥98% , CAS No.892243-35-5

CAS: 892243-35-5 Cat. No.: I651117 分子式: C27H23N3O4 分子量: 453.49 PubChem CID: 3675673
注文可能
GRADE & PURITY ≥98%
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
USA
ドイツ (EU)*
Price
Qty
5mg
I651117-5mg
受注生産 · 8~12週間
$500.90
10mg
I651117-10mg
受注生産 · 8~12週間
$800.90
25mg
I651117-25mg
受注生産 · 8~12週間
$1,600.90
50mg
I651117-50mg
受注生産 · 8~12週間
$2,560.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads 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.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

概要

IPR-803 is a potent inhibitor of the uPAR•uPA protein-protein interaction (PPI) . IPR-803 binds directly to uPAR with sub-micromolar affinity. IPR-803 displays anti-tumor activity

In Vitro

IPR-803 blocks invasion of breast cancer cells line MDA-MB-231, and inhibits matrix metalloproteinase (MMP) breakdown of the extracellular matrix (ECM). ?\nIPR-803 impairs MDA-MB-231 cell adhesion and migration. ?\nIPR-803 induces a concentration-dependent impairment of cell adhesion with an IC 50 of approximately 30 μM. ?\nIPR-803 inhibits MDA-MB-231 cells growth with an IC 50 of 58 μM. ?\nIPR-803 (0-200 μM; 3 days) blocks the invasion of MDA-MB-231 cells, and most of the inhibition of cell invasion is unlikely due to cytotoxicity of the compound. ?\nIPR-803 (1-50 μM; 24 hours) does not have a significant effect on apoptosis or necrosis. ?\nIPR-803 (50 μM; 30 minutes) shows inhibition of MAPK phosphorylation. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Proliferation AssayCell Line: MDA-MB-231 cells Concentration: 0 μM, 50 μM, 150 μM, 200 μM Incubation Time: 3 days Result: Displays 90 percent blockage of invasion that is observed at 50 μM.

In Vivo

IPR-803 (200 mg/kg; i.g.; three times a week; for 5 weeks) impairs breast cancer metastasis, but no statistical significance to the differences in body weight between treated and untreated . ?\nIPR-803 has a low oral bioavailability at 4 percent, and remains high concentration even after 10 hours in tumor tissue . ?\nIPR-803 exhibits a half-life (t1/2) of 5 hours . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: NSG mice with MDA-MB-231 cells xenograft Dosage: 200 mg/kg Administration: Oral gavage; three times a week; for 5 weeks Result: Impaired metastasis to the lungs. Animal Model: NOD/SCID mice Dosage: 200 mg/kg (Pharmacokinetic Study) Administration: Oral administration Result: t1/2=5 hours.

Form:Solid

IC50& Target:Ki: 0.2 μM (PPI)

Specifications

仕様と純度
≥98%
生化学的・生理学的メカニズム
IPR-803 is a potent inhibitor of the uPAR•uPA protein-protein interaction (PPI) . IPR-803 binds directly to uPAR with sub-micromolar affinity. IPR-803 displays anti-tumor activity.
保管条件
Store at -20°C
入荷
Ice chest + Ice pads
この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。
アクションタイプ
INHIBITOR
純度
≥98%
名前と識別子
カノニカル・スマイル
C1CCCN(CC1)C2=CC(=C3C4=C(C5=CC=CC=C5C3=O)ON=C24)NC6=CC=CC(=C6)C(=O)O
IUPAC Name
3-[[12-(azepan-1-yl)-8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-10-yl]amino]benzoic acid
InChIKey
UAEULQWANHYLGJ-UHFFFAOYSA-N
INCHI
1S/C27H23N3O4/c31-25-18-10-3-4-11-19(18)26-23-22(25)20(28-17-9-7-8-16(14-17)27(32)33)15-21(24(23)29-34-26)30-12-5-1-2-6-13-30/h3-4,7-11,14-15,28H,1-2,5-6,12-13H2,(H,32,33)
異性体SMILES
C1CCCN(CC1)C2=CC(=C3C4=C(C5=CC=CC=C5C3=O)ON=C24)NC6=CC=CC(=C6)C(=O)O
PubChem CID
3675673
分子量
453.49

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
SuperclassBenzenoids
分類Anthracenes
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentAnthracenes
Alternative Parents Aminobenzoic acids  Benzoic acids  Aniline and substituted anilines  Aryl ketones  Dialkylarylamines  Benzoyl derivatives  Azepanes  Primary aromatic amines  Vinylogous amides  Isoxazoles  Heteroaromatic compounds  Amino acids  Secondary amines  Oxacyclic compounds  Carboxylic acids  Azacyclic compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Anthracene - Aminobenzoic acid - Aminobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Aryl ketone - Azepane - Monocyclic benzene moiety - Primary aromatic amine - Vinylogous amide - Isoxazole - Heteroaromatic compound - Azole - Tertiary amine - Amino acid or derivatives - Ketone - Amino acid - Azacycle - Secondary amine - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Organooxygen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
説明This compound belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings.
External Descriptors Not available
3 D構造
インタラクティブ化学構造モデル





関連ターゲット(人間)
PLAU Tchem Urokinase-type plasminogen activator (2016 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-H1299 (3248 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
作用メカニズム
証明書(CoA、COO、BSE/TSEと分析図)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
化学的性質と物理的性質
溶解度DMSO : 7.69 mg/mL (16.96 mM; Need ultrasonic)
分子量453.500 g/mol
XLogP35.800
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass453.169 Da
Monoisotopic Mass453.169 Da
Topological Polar Surface Area95.700 Ų
Heavy Atom Count34
Formal Charge0
Complexity769.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
ソリューション計算機
レビュー

顧客レビュー

よくある質問

What is the purity of this product?
This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.
How should this product be stored?
Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.
How is this product shipped?
This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 892243-35-5, the molecular formula is C27H23N3O4, and the molecular weight is 453.49 g/mol. InChIKey UAEULQWANHYLGJ-UHFFFAOYSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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