ABC1183 , CAS No.1042735-18-1

CAS: 1042735-18-1 Cat. No.: A649618 分子式: C18H14N4OS 分子量: 334.39 PubChem CID: 134500787
注文可能
Synonyms
BCP30547 | Benzonitrile, 4-[[4-amino-2-[(4-methylphenyl)amino]-5-thiazolyl]carbonyl]- | ABC1183 | ABC-1183 | SB18692 | 4-(4-Amino-2-(p-tolylamino)thiazole-5-carbonyl)benzonitrile | NSC797769 | NSC-797769 | MS-25048 | 4-[[4-Amino-2-[(4-methylphenyl)amino]-
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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Size
USA
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Price
Qty
5mg
A649618-5mg
受注生産 · 8~12週間
$180.90
10mg
A649618-10mg
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$288.90
25mg
A649618-25mg
受注生産 · 8~12週間
$600.90
50mg
A649618-50mg
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$960.90
100mg
A649618-100mg
受注生産 · 8~12週間
$1,536.90
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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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.

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Literature proof

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

概要

ABC1183 is an orally active selective dual GSK3 and CDK9 inhibitor. ABC1183 inhibits GSK3β, GSK3α and CDK9/cyclin T1 with the IC 50 values of 657 nM, 327 nM and 321 nM, respectively. ABC1183 has anti-inflammatory and anti-tumor activities

In Vitro

ABC1183 (3 μM, 24 h) can block cell cycle progression and thus affect cell proliferation. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Cycle AnalysisCell Line: LNCaP human prostate cancer cells Concentration: 3 μM Incubation Time: 24 hours Result: Significantly reduced cells in the G1 and S phases and increased cells in the G2/M and sub-G1 cycle phases.

In Vivo

ABC1183 (oral gavage, 5 or 50 mg/kg) inhibits tumor proliferation through negative regulation of cell growth and pro-inflammatory signalling in male C57BL/6 mice . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Male C57BL/6 mice with melanoma B16 Dosage: 5 mg/kg Administration: Oral gavage; 5 times per week; 22 days Result: Reduced tumor size and no observed toxicity. Decreased the expression levels of GSK3 α /β, pSer21/9 and GS pSer641 but no change of total GS expression. Animal Model: Male C57BL/6 mice infected crohn’s disease Dosage: 50 mg/kg Administration: Oral gavage; everyday; 3 days Result: Reduced TNF-α by 65%, IL-6 by 30% and IL-1β by 45%. Animal Model: Male C57BL/6 mice with ulcerative colitis Dosage: 50 mg/kg Administration: Oral gavage; once daily; 6 days Result: Increased the expression of the anti-inflammatory factor IL-10, while decreasing the pro-inflammatory factor IL-6.

Form:Solid

IC50& Target:CDK9- Cyclin T1 321 nM (IC 50 ) GSK-3α 327 nM (IC 50 ) GSK-3β 657 nM (IC 50 )

Specifications

同義語
BCP30547 | Benzonitrile, 4-[[4-amino-2-[(4-methylphenyl)amino]-5-thiazolyl]carbonyl]- | ABC1183 | ABC-1183 | SB18692 | 4-(4-Amino-2-(p-tolylamino)thiazole-5-carbonyl)benzonitrile | NSC797769 | NSC-797769 | MS-25048 | 4-[[4-Amino-2-[(4-methylphenyl)amino]-
生化学的・生理学的メカニズム
ABC1183 is an orally active selective dual GSK3 and CDK9 inhibitor. ABC1183 inhibits GSK3β, GSK3α and CDK9/cyclin T1 with the IC 50 values of 657 nM, 327 nM and 321 nM, respectively. ABC1183 has anti-inflammatory and anti-tumor activities.
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
名前と識別子
カノニカル・スマイル
CC1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C3=CC=C(C=C3)C#N)N
IUPAC Name
4-[4-amino-2-(4-methylanilino)-1,3-thiazole-5-carbonyl]benzonitrile
InChIKey
CUDLEXBIVZPJBU-UHFFFAOYSA-N
INCHI
1S/C18H14N4OS/c1-11-2-8-14(9-3-11)21-18-22-17(20)16(24-18)15(23)13-6-4-12(10-19)5-7-13/h2-9H,20H2,1H3,(H,21,22)
異性体SMILES
CC1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C3=CC=C(C=C3)C#N)N
代替CAS番号
1042735-18-1
PubChem CID
134500787
分子量
334.39

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
SuperclassOrganic oxygen compounds
分類Organooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones
Direct ParentAryl-phenylketones
Alternative Parents Benzoyl derivatives  Benzonitriles  2,4,5-trisubstituted thiazoles  Imidolactams  Alpha-branched alpha,beta-unsaturated ketones  Vinylogous amides  Heteroaromatic compounds  Enones  Acryloyl compounds  Sulfenyl compounds  Secondary amines  Propargyl-type 1,3-dipolar organic compounds  Nitriles  Carboximidamides  Azacyclic compounds  Organopnictogen compounds  Organic oxides  Monoalkylamines  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Aryl-phenylketone - Benzoyl - Benzonitrile - 2,4,5-trisubstituted 1,3-thiazole - Imidolactam - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Alpha,beta-unsaturated ketone - Thiazole - Enone - Azole - Acryloyl-group - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboximidamide - Secondary amine - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic heteromonocyclic compound
説明This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.
External Descriptors Not available
3 D構造
インタラクティブ化学構造モデル





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 : 125 mg/mL (373.82 mM; Need ultrasonic)
分子量334.400 g/mol
XLogP34.800
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass334.089 Da
Monoisotopic Mass334.089 Da
Topological Polar Surface Area120.000 Ų
Heavy Atom Count24
Formal Charge0
Complexity488.000
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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よくある質問

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 1042735-18-1, the molecular formula is C18H14N4OS, and the molecular weight is 334.39 g/mol. InChIKey CUDLEXBIVZPJBU-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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