ABC1183 , CAS No.1042735-18-1

CAS: 1042735-18-1 Cat. No.: A649618 분자식: C18H14N4OS 분자량: 334.39 PubChem CID: 134500787
주문 가능
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
★
Size
USA
독일 (EU)*
Price
Qty
5mg
A649618-5mg
주문제작 · 8~12주
US$180.90
10mg
A649618-10mg
주문제작 · 8~12주
US$288.90
25mg
A649618-25mg
주문제작 · 8~12주
US$600.90
50mg
A649618-50mg
주문제작 · 8~12주
US$960.90
100mg
A649618-100mg
주문제작 · 8~12주
US$1,536.90
Enter a quantity for the sizes you want to add.
🧪
Why this grade

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.

📋

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.

개요

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

동의어
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]-
생화학 및 생리적 메커니즘
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.
보관 조건
Store at -20°C
배송
Ice chest + Ice pads
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작업 유형
INHIBITOR
이름과 식별자
정식 스마일
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)
이성체 SMILES
CC1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C3=CC=C(C=C3)C#N)N
대체 CAS
1042735-18-1
PubChem CID
134500787
분자량
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
분류Organooxygen 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
설명This 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
3D 구조
상호 작용 화학 구조 모델





인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
화학 및 물리적 특성
용해성DMSO : 125 mg/mL (373.82 mM; Need ultrasonic)
분자량334.400 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
솔루션 계산기
리뷰

고객 리뷰

자주 묻는 질문

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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