SC-43 - 10mM in DMSO , CAS No.1400989-25-4

CAS: 1400989-25-4 Cat. No.: S421495 分子式: C21H13ClF3N3O2 分子量: 431.8 EC番号: 856-649-2 PubChem CID: 70688629
注文可能
GRADE & PURITY 10mM in DMSO
Synonyms
QIBWSQJZKMUZAK-UHFFFAOYSA-N | D84094 | Z2736999277 | Urea, N-(4-chloro-3-(trifluoromethyl)phenyl)-N'-(3-(4-cyanophenoxy)phenyl)- | 1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(3-(4-cyanophenoxy)phenyl)urea | BCP33951 | SCHEMBL14684295 | AKOS030760992 | UNII-
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
★
Size
USA
ドイツ (EU)*
Price
Qty
1ml
S421495-1ml
2 在庫あり
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$164.90

$241.90
保存 $77.00 (31.83%)
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Why this grade

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

🌡

Storage & shipping

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

📋

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

Information

SC-43, a sorafenib derivative, is an agonist ofSrc-homology protein tyrosine phosphatase-1 (SHP-1/PTPN6)and reduces liver fibrosis. SC-43 reducesp-STAT3and inducesapoptosiswith anti-tumor activity.

Targets

SHP-1 ; STAT3

Specifications

同義語
QIBWSQJZKMUZAK-UHFFFAOYSA-N | D84094 | Z2736999277 | Urea, N-(4-chloro-3-(trifluoromethyl)phenyl)-N'-(3-(4-cyanophenoxy)phenyl)- | 1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(3-(4-cyanophenoxy)phenyl)urea | BCP33951 | SCHEMBL14684295 | AKOS030760992 | UNII-
仕様と純度
10mM in DMSO
生化学的・生理学的メカニズム
SC-43, a sorafenib derivative, is an agonist of Src-homology protein tyrosine phosphatase-1 (SHP-1/PTPN6) and reduces liver fibrosis. SC-43 reduces p-STAT3 and induces apoptosis with anti-tumor activity.
保管条件
Store at -80°C
入荷
Dry ice packs + Cold packs
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。
製品の性質
ALogP
5.568
HBD数
2
回転可能な結合
5
名前と識別子
パブケム・シド
カノニカル・スマイル
C1=CC(=CC(=C1)OC2=CC=C(C=C2)C#N)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F
IUPAC Name
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(4-cyanophenoxy)phenyl]urea
InChIKey
QIBWSQJZKMUZAK-UHFFFAOYSA-N
INCHI
1S/C21H13ClF3N3O2/c22-19-9-6-15(11-18(19)21(23,24)25)28-20(29)27-14-2-1-3-17(10-14)30-16-7-4-13(12-26)5-8-16/h1-11H,(H2,27,28,29)
異性体SMILES
C1=CC(=CC(=C1)OC2=CC=C(C=C2)C#N)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F
PubChem CID
70688629
分子量
431.8

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Benzene and substituted derivatives
SubclassDiphenylethers
Intermediate Tree Nodes Not available
Direct ParentDiphenylethers
Alternative Parents Diarylethers  Trifluoromethylbenzenes  N-phenylureas  Benzonitriles  Phenoxy compounds  Phenol ethers  Chlorobenzenes  Aryl chlorides  Ureas  Nitriles  Organochlorides  Hydrocarbon derivatives  Organofluorides  Alkyl fluorides  Carbonyl compounds  Organic oxides  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Diphenylether - Diaryl ether - Trifluoromethylbenzene - N-phenylurea - Phenoxy compound - Benzonitrile - Phenol ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Urea - Ether - Carbonitrile - Nitrile - Alkyl fluoride - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Cyanide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic homomonocyclic compound
説明This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
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)
PTPN6 Tchem Protein-tyrosine phosphatase 1C (687 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
DMSO(mg / mL) 最大溶解度86
DMSO(mM) 最大溶解度199.166280685503
水(mg / mL) 最大溶解度<1
分子量431.800 g/mol
XLogP36.000
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass431.065 Da
Monoisotopic Mass431.065 Da
Topological Polar Surface Area74.200 Ų
Heavy Atom Count30
Formal Charge0
Complexity631.000
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
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